Acetic Acid

Acetic Acid

SCHEMBL7572044

CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.N[C@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.53

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 12)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.53
SLCO1B1 Q9Y6L6 1/20 0.53
PAX8 Q06710 1/20 0.49
PDE4A P27815 1/20 0.47
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 2/20 0.38
AKR1B1 P15121 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
TOP1 P11387 1/20 0.32
OR51E2 Q9H255 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 SCHEMBL403998 1.00 USP2 (0.53) USP2SLCO1B1PAX8PDE4ALMNA
Acetic Acid SCHEMBL8370700 1.00 USP2 (0.53) USP2SLCO1B1PAX8PDE4ALMNA
Acetic Acid SCHEMBL489053 1.00 USP2 (0.53) USP2SLCO1B1PAX8PDE4ALMNA
Pyruvate SCHEMBL17296438 0.94 USP2 (0.48) USP2SLCO1B1PAX8PDE4ALMNA
Bicarbonate SCHEMBL20888 0.94 USP2 (0.55) USP2SLCO1B1PAX8PDE4ALMNA
SCHEMBL2227363 0.92 LMNA (0.52) USP2SLCO1B1PAX8PDE4ALMNA
SCHEMBL8586304 0.92 LMNA (0.52) USP2SLCO1B1PAX8PDE4ALMNA
SCHEMBL420278 0.92 LMNA (0.52) USP2SLCO1B1PAX8PDE4ALMNA
SCHEMBL1548302 0.92 LMNA (0.52) USP2SLCO1B1PAX8PDE4ALMNA
SCHEMBL22963142 0.92 LMNA (0.52) USP2SLCO1B1PAX8PDE4ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020192231-A1 Method of increasing anti-neuGc antibody levels in blood IMMUCOM INC. 2002-12-19 US claimed
WO-2002094199-A2 METHOD OF INCREASING ANTI-NeuGc ANTIBODY LEVELS IN BLOOD IMMUCOM INC. (US) 2002-11-28 WO claimed
WO-2000007602-A1 COMPOUNDS FOR ALTERING CELL SURFACE SIALIC ACIDS AND METHODS OF USE THEREFOR THE JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 2000-02-17 WO disclosed