Acetic Acid

Acetic Acid

SCHEMBL5526727

CC(=O)O.CC(C)(N)C(C)(C)N

nearest known ligand 0.54

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 1/20 0.54
LCK P06239 1/20 0.54
FYN P06241 1/20 0.54
LMNA P02545 2/20 0.50
ALOX15 P16050 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.41
FDPS P14324 1/20 0.35
MAPT P10636 1/20 0.35
PTGS1 P23219 1/20 0.35
GGT1 P19440 1/20 0.35
KDM4E B2RXH2 1/20 0.33
GRM2 Q14416 1/20 0.33
ACHE P22303 1/20 0.33
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33

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 SCHEMBL28916538 1.00 FFAR3 (0.54) FFAR3LCKFYNLMNAALOX15
Acetic Acid SCHEMBL11464476 0.96 FFAR3 (0.50) FFAR3LCKFYNLMNAALOX15
Tert-Butylamine SCHEMBL27717339 0.88 FFAR3 (0.58) FFAR3LCKFYNLMNAALOX15
Acetic Acid SCHEMBL29475783 0.88 FFAR3 (0.58) FFAR3LCKFYNLMNAALOX15
Tert-Butylamine SCHEMBL289315 0.88
Tert-Butylamine SCHEMBL29006209 0.85 FFAR3 (0.54) FFAR3LCKFYNLMNAALOX15
Acetic Acid SCHEMBL3731603 0.84 FFAR3 (0.64) FFAR3LCKFYNLMNAALOX15
Acetic Acid SCHEMBL442452 0.81 FFAR3 (0.50) FFAR3LCKFYNLMNAALOX15
Acetic Acid SCHEMBL7437249 0.81 FFAR3 (0.50) FFAR3LCKFYNLMNAALOX15
Acetic Acid SCHEMBL28212914 0.80

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1573056-A4 METHODS FOR FRAGMENTATION, LABELING AND IMMOBILIZATION OF NUCLEIC ACIDS NUGEN TECHNOLOGIES INC (US) 2007-11-28 EP disclosed
US-20070172925-A1 Ribonucleic acid compound and method of liquid-phase synthesis of oligonucleic acid compound NIPPON SHINYAKU CO., LTD. (JP) 2007-07-26 US disclosed
EP-1710249-A1 RIBONUCLEIC ACID COMPOUND AND METHOD OF LIQUID-PHASE SYNTHESIS OF OLIGONUCLEIC ACID COMPOUND Nippon Shinyaku Co., Ltd. (JP) 2006-10-11 EP disclosed
EP-1573056-A2 METHODS FOR FRAGMENTATION, LABELING AND IMMOBILIZATION OF NUCLEIC ACIDS NuGEN Technologies, Inc. (US) 2005-09-14 EP disclosed
WO-2004011665-A2 METHODS FOR FRAGMENTATION, LABELING AND IMMOBILIZATION OF NUCLEIC ACIDS NUGEN TECHNOLOGIES, INC. (US) 2004-02-05 WO disclosed
US-20040005614-A1 Methods for fragmentation, labeling and immobilization of nucleic acids NUGEN TECHNOLOGIES, INC. 2004-01-08 US 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 (1 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-20070172925-A1 Ribonucleic acid compound and method of liquid-phase synthesis of oligonucleic acid compound RNASEH1, NSUN2, POLR2H FFAR3 3614/4885LCK 3619/4885FYN 4601/4885

“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.