Acetic Acid

Acetic Acid

SCHEMBL2166947

CC(=O)O.OCC#CCO

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.50
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
SLC15A2 Q16348 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TRPA1 O75762 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
THPO P40225 1/20 0.31
TGFBR1 P36897 1/20 0.31
CHRM1 P11229 2/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM3 P20309 1/20 0.31
MMP2 P08253 1/20 0.30
MMP12 P39900 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Acetic Acid SCHEMBL2161470 0.88 FFAR3 (0.39) FFAR3LCKFYN
Acetic Acid SCHEMBL8167089 0.86 FFAR3 (0.37) FFAR3LCKFYNTRPA1TSHR
Acetic Acid SCHEMBL2166181 0.86 FFAR3 (0.37) FFAR3LCKFYNTGFBR1CHRM1
Acetic Acid SCHEMBL2166856 0.84 FFAR3 (0.35) FFAR3LCKFYNALDH1A1TDP1
Acetic Acid SCHEMBL2166044 0.82 FFAR3 (0.33) FFAR3LCKFYN
Acetic Acid SCHEMBL11699356 0.80 FFAR3 (0.78) FFAR3LCKFYNALDH1A1LMNA
Propionic Acid SCHEMBL577043 0.80 FFAR3 (0.62) FFAR3ALDH1A1TDP1KDM4EHPGD
Acetic Acid SCHEMBL28275680 0.77
Acetic Acid SCHEMBL28252786 0.77
Acetic Acid SCHEMBL1409006 0.76

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6156692-A Ruthenium-containing catalyst composition for olefin metathesis BP AMOCO CORPORATION (US) 2000-12-05 US claimed
US-8383274-B2 Nonaqueous electrolyte solution for lithium battery, lithium battery using same, and formyloxy group-containing compound used therein UBE INDUSTRIES, LTD. (JP) 2013-02-26 US disclosed
US-20110183199-A1 NONAQUEOUS ELECTROLYTE SOLUTION FOR LITHIUM BATTERY, LITHIUM BATTERY USING SAME, AND FORMYLOXY GROUP-CONTAINING COMPOUND USED THEREIN UBE INDUSTRIES, LTD. (JP) 2011-07-28 US disclosed
EP-1585743-B1 2-(1H-INDAZOL-6-YLAMINO)- BENZAMIDE COMPOUNDS AS PROTEIN KINASES INHIBITORS USEFUL FOR THE TREATMENT OF OPHTHALMIC DISEASES PFIZER (US) 2007-05-23 EP disclosed
US-20060160858-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS INC. 2006-07-20 US disclosed
US-7053107-B2 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2006-05-30 US disclosed
EP-1585743-A1 2-(1H-INDAZOL-6-YLAMINO)- BENZAMIDE COMPOUNDS AS PROTEIN KINASES INHIBITORS USEFUL FOR THE TREATMENT OF OPHTHALMIC DISEASES PFIZER INC. (US) 2005-10-19 EP disclosed
US-20040192735-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2004-09-30 US disclosed
WO-2004056806-A1 2-(1H-INDAZOL-6-YLAMINO)-BENZAMIDE COMPOUNDS AS PROTEIN KINASES INHIBITORS USEFUL FOR THE TREATMENT OF OPHTALMIC DISEASES PFIZER INC. (US) 2004-07-08 WO disclosed
EP-0841988-B1 A RUTHENIUM-BASED CATALYST COMPOSITION FOR OLEFIN METATHESIS BP CORP NORTH AMERICA INC (US) 2002-06-19 EP disclosed
EP-0857183-B1 PROCESS FOR PREPARATION OF ADDITION PRODUCTS OF DIFUNCTIONAL TELECHELIC POLYOLEFINS FROM CYCLIC OLEFINS BY OLEFIN METATHESIS REACTION CALIFORNIA INST OF TECHN (US) 2001-11-07 EP disclosed
US-6159890-A Ruthenium-containing catalyst system for olefin metathesis BP AMOCO CORPORATION (US) 2000-12-12 US disclosed
US-6156692-A Ruthenium-containing catalyst composition for olefin metathesis BP AMOCO CORPORATION (US) 2000-12-05 US disclosed
US-6143851-A Process for preparation of addition products of difunctional telechelic polyolefins from cyclic olefins by olefin metathesis reaction BP AMOCO CORPORATION (US) 2000-11-07 US disclosed
US-6060570-A Process for preparation of addition products of difunctional telechelic polyolefins from cyclic olefins by olefin metathesis reaction BP AMOCO CORPORATION (US) 2000-05-09 US disclosed
WO-1999022866-A1 A RUTHENIUM-CONTAINING CATALYST SYSTEM FOR OLEFIN METATHESIS BP AMOCO CORPORATION (US) 1999-05-14 WO disclosed
EP-0857183-A1 PROCESS FOR PREPARATION OF ADDITION PRODUCTS OF DIFUNCTIONAL TELECHELIC POLYOLEFINS FROM CYCLIC OLEFINS BY OLEFIN METATHESIS REACTION AMOCO CORPORATION (US) 1998-08-12 EP disclosed
EP-0841988-A1 A RUTHENIUM-BASED CATALYST SYSTEM FOR OLEFIN METATHESIS AMOCO CORPORATION (US) 1998-05-20 EP disclosed
WO-1998006771-A1 PROCESS FOR PREPARATION OF ADDITION PRODUCTS OF DIFUNCTIONAL TELECHELIC POLYOLEFINS FROM CYCLIC OLEFINS BY OLEFIN METATHESIS REACTION AMOCO CORPORATION (US) 1998-02-19 WO disclosed
WO-1997040934-A1 A RUTHENIUM-BASED CATALYST SYSTEM FOR OLEFIN METATHESIS AMOCO CORPORATION (US) 1997-11-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110183199-A1 NONAQUEOUS ELECTROLYTE SOLUTION FOR LITHIUM BATTERY, LITHIUM BATTERY USING SAME, AND FORMYLOXY GROUP-CONTAINING COMPOUND USED THEREIN HCN2, KCNN2, KCNB1 FFAR3 996/4885LCK 455/4885FYN 481/4885
US-20040192735-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CDK3, BRAF, CNKSR1 FFAR3 1693/4885LCK 44/4885FYN 125/4885
US-20060160858-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CDK3, BRAF, CNKSR1 FFAR3 1693/4885LCK 44/4885FYN 125/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.