Acetic Acid

Acetic Acid

SCHEMBL30309106

CC(=O)O.O=C(O)CCC(=O)CC(=O)O

nearest known ligand 0.71

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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 20)

geneUniProtsupporting neighboursconfidence
PHF8 Q9UPP1 7/20 0.71
KDM2A Q9Y2K7 7/20 0.71
EGLN1 Q9GZT9 5/20 0.71
KDM4E B2RXH2 4/20 0.71
KDM5C P41229 4/20 0.71
KDM6B O15054 2/20 0.71
LMNA P02545 3/20 0.52
SLC15A2 Q16348 1/20 0.52
ALKBH5 Q6P6C2 1/20 0.50
SUCNR1 Q9BXA5 1/20 0.50
GABRR1 P24046 1/20 0.48
ACE P12821 1/20 0.46
LDHA P00338 1/20 0.42
SRR Q9GZT4 1/20 0.42
FOLH1 Q04609 1/20 0.42
FFAR3 O14843 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL218098 0.91 PHF8 (0.65) PHF8KDM2AEGLN1KDM4EKDM5C
SCHEMBL30572348 0.91 PHF8 (0.65) PHF8KDM2AEGLN1KDM4EKDM5C
SCHEMBL20377434 0.88 PHF8 (0.62) PHF8KDM2AEGLN1KDM4EKDM5C
SCHEMBL20377438 0.88 PHF8 (0.62) PHF8KDM2AEGLN1KDM4EKDM5C
Ammonia Solution, Strong SCHEMBL20377426 0.88 PHF8 (0.62) PHF8KDM2AEGLN1KDM4EKDM5C
SCHEMBL20377443 0.88 PHF8 (0.62) PHF8KDM2AEGLN1KDM4EKDM5C
SCHEMBL20377423 0.88 PHF8 (0.62) PHF8KDM2AEGLN1KDM4EKDM5C
SCHEMBL20377429 0.88 PHF8 (0.62) PHF8KDM2AEGLN1KDM4EKDM5C
SCHEMBL6914036 0.88 PHF8 (0.62) PHF8KDM2AEGLN1KDM4EKDM5C
SCHEMBL20377444 0.88 PHF8 (0.62) PHF8KDM2AEGLN1KDM4EKDM5C

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
EP-4143325-A1 FERMENTATIVE PRODUCTION OF BETA-KETOADIPATE FROM GASEOUS SUBSTRATES Lanzatech, Inc. (US) 2023-03-08 EP disclosed