Acetic Acid

Acetic Acid

SCHEMBL8601641

CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CCCCCCCC(CCCCCCC)(CCCCCCC)C(=O)OCC

nearest known ligand 0.58

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
ESR1 known ✓ P03372 1/20 0.38
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
MAPT P10636 1/20 0.58
ATM Q13315 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
CYP4F2 P78329 2/20 0.56
CYP4A11 Q02928 2/20 0.56
HTT P42858 1/20 0.50
THRB P10828 1/20 0.47
PKM P14618 1/20 0.47
CES2 O00748 1/20 0.39
FAAH O00519 1/20 0.39
TSHR P16473 4/20 0.38
PAM P19021 2/20 0.38
PPARG P37231 3/20 0.38
PPARD Q03181 3/20 0.38
PPARA Q07869 3/20 0.38
GPR84 Q9NQS5 2/20 0.38
HDAC11 Q96DB2 2/20 0.38

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 SCHEMBL530570 1.00 MEN1 (0.58) MEN1KMT2AMAPTATML3MBTL1
Acetic Acid SCHEMBL2352340 1.00 MEN1 (0.58) MEN1KMT2AMAPTATML3MBTL1
Acetic Acid SCHEMBL8518463 1.00 MEN1 (0.58) MEN1KMT2AMAPTATML3MBTL1
Acetic Acid SCHEMBL5384786 1.00 MEN1 (0.58) MEN1KMT2AMAPTATML3MBTL1
Acetic Acid SCHEMBL4953759 1.00 MEN1 (0.58) MEN1KMT2AMAPTATML3MBTL1
Acetic Acid SCHEMBL1921958 1.00 MEN1 (0.58) MEN1KMT2AMAPTATML3MBTL1
Acetic Acid SCHEMBL1925892 1.00 MEN1 (0.58) MEN1KMT2AMAPTATML3MBTL1
Acetic Acid SCHEMBL433597 1.00 MEN1 (0.58) MEN1KMT2AMAPTATML3MBTL1
Acetic Acid SCHEMBL717375 1.00 MEN1 (0.58) MEN1KMT2AMAPTATML3MBTL1
Acetic Acid SCHEMBL534555 1.00 MEN1 (0.58) MEN1KMT2AMAPTATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5773611-A REDUCE DRYNESS; RESTORE SOFTNESS, MOISTURE, GLOSS L'OREAL (FR) 1998-06-30 US disclosed
US-5618523-A OLEIC ACID DERIVATIVES; HAIR, SKIN LOTIONS L'OREAL (FR) 1997-04-08 US disclosed