Acetic Acid

Acetic Acid

SCHEMBL8839883

C=C(C)C(=O)OC1CC2CCC1(C)C2(C)C.CC(=O)O

nearest known ligand 0.51

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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 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
CYP2C19 P33261 1/20 0.50
CYP19A1 P11511 2/20 0.47

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 SCHEMBL27635724 1.00 MAPT (0.51) MAPTMAPK1KMT2AALDH1A1LMNA
SCHEMBL7538065 0.97 MAPT (0.53) MAPTMAPK1KMT2AALDH1A1LMNA
SCHEMBL20505978 0.97 MAPT (0.53) MAPTMAPK1KMT2AALDH1A1LMNA
SCHEMBL16188009 0.97 MAPT (0.53) MAPTMAPK1KMT2AALDH1A1LMNA
SCHEMBL33518 0.97 MAPT (0.53) MAPTMAPK1KMT2AALDH1A1LMNA
SCHEMBL23865155 0.97 MAPT (0.53) MAPTMAPK1KMT2AALDH1A1LMNA
SCHEMBL20192085 0.97 MAPT (0.53) MAPTMAPK1KMT2AALDH1A1LMNA
SCHEMBL7173571 0.97 MAPT (0.53) MAPTMAPK1KMT2AALDH1A1LMNA
SCHEMBL29355524 0.97 MAPT (0.53) MAPTMAPK1KMT2AALDH1A1LMNA
SCHEMBL28344316 0.97 MAPT (0.53) MAPTMAPK1KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5596127-A Process for the continuous preparation of terpene esters HOECHST AKTIENGESELLSCHAFT (DE) 1997-01-21 US disclosed