Acetic Acid

Acetic Acid

SCHEMBL6696904

CC(=O)O.CCCCCCCCCCCC(N)=O.CCCCNC(=N)N

nearest known ligand 0.47

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
FAAH O00519 2/20 0.47
SOAT1 P35610 2/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
EPHX1 P07099 4/20 0.47
SPHK1 Q9NYA1 4/20 0.46
SPHK2 Q9NRA0 1/20 0.46
PLA2G2A P14555 2/20 0.45
PLA2G4A P47712 1/20 0.45
CASP2 P42575 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
GPR84 Q9NQS5 1/20 0.42

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
Palmitamide SCHEMBL5180724 1.00 FAAH (0.47) FAAHSOAT1MEN1TP53CYP1A2
Tetradecanamide SCHEMBL5182998 1.00 FAAH (0.47) FAAHSOAT1MEN1TP53CYP1A2
Stearic Acid SCHEMBL5183203 0.92 PLA2G2A (0.55) MEN1KMT2APLA2G2APLA2G4AALDH1A1
Acetic Acid SCHEMBL2905260 0.90 EPHX1 (0.55) FAAHMEN1CYP1A2KMT2AEPHX1
Dodine SCHEMBL9766434 0.90 EPHX1 (0.55) FAAHMEN1CYP1A2KMT2AEPHX1
Dodine SCHEMBL22124 0.90 EPHX1 (0.55) FAAHMEN1CYP1A2KMT2AEPHX1
Acetic Acid SCHEMBL2905199 0.90 EPHX1 (0.55) FAAHMEN1CYP1A2KMT2AEPHX1
Acetic Acid SCHEMBL29256286 0.90 EPHX1 (0.55) FAAHMEN1CYP1A2KMT2AEPHX1
Dodine SCHEMBL9055972 0.90 EPHX1 (0.55) FAAHMEN1CYP1A2KMT2AEPHX1
Acetic Acid SCHEMBL3289314 0.90 EPHX1 (0.55) FAAHMEN1CYP1A2KMT2AEPHX1

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
CN-101500536-B Hair cosmetic LION CORP. (JP) 2011-12-28 CN disclosed
CN-101500536-A Hair cosmetic LION CORP (JP) 2009-08-05 CN disclosed
CN-1250194-C External preparation LION CORP (JP) 2006-04-12 CN disclosed
CN-1568173-A External preparation LION CORP (JP) 2005-01-19 CN disclosed
US-20040092599-A1 Production process of guanidine derivative containing amido group and salt thereof AJINOMOTO CO., INC. (JP) 2004-05-13 US disclosed
EP-1270552-A2 Production process for a guanidine derivative containing an amido group and for a salt thereof Ajinomoto Co., Inc. (JP) 2003-01-02 EP 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-20040092599-A1 Production process of guanidine derivative containing amido group and salt thereof FASN, GMPS, CEL FAAH 278/4885SOAT1 166/4885MEN1 4444/4885

“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.