Acetic Acid

Acetic Acid

SCHEMBL7069803

CC(=O)[O-].CC(=O)[O-].C[n+]1cccc2ccccc21.C[n+]1cccc2ccccc21

nearest known ligand 0.46

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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
ACHE P22303 4/20 0.43
KMT2A Q03164 7/20 0.42
MEN1 O00255 6/20 0.42
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
APOBEC3A P31941 3/20 0.42
APOBEC3G Q9HC16 3/20 0.42
USP2 O75604 2/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 2/20 0.39
MITF O75030 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 2/20 0.39
TDP2 O95551 1/20 0.39
NSD2 O96028 1/20 0.39
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39
GALK1 P51570 1/20 0.39

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 SCHEMBL2035112 1.00 ACHE (0.43) ACHEKMT2AMEN1KDM4EALDH1A1
Acetic Acid SCHEMBL2036516 0.96 KMT2A (0.41) ACHEKMT2AMEN1KDM4EALDH1A1
Succinic Acid SCHEMBL2036515 0.87 MEN1 (0.43) ACHEKMT2AMEN1KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL2158506 0.86 KCNN1 (0.39) ACHEKMT2AMEN1KDM4EALDH1A1
SCHEMBL307903 0.85 ACHE (0.53) ACHEBCHE
SCHEMBL29752612 0.85 ACHE (0.53) ACHEBCHE
Hydroxyamine SCHEMBL4937262 0.84 ACHE (0.48) ACHEKMT2AMEN1KDM4EALDH1A1
Bromide SCHEMBL5611688 0.83 ACHE (0.52) ACHEBCHE
Bromide SCHEMBL7776277 0.83 ACHE (0.52) ACHEBCHE
Hydrochloric Acid SCHEMBL2031419 0.83 ACHE (0.52) ACHEBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0458502-B1 Latent catalysts, cure-inhibited epoxy resin compositions and laminates prepared therefrom DOW GLOBAL TECHNOLOGIES INC (US) 2003-06-18 EP claimed
US-5169473-A Complex of an onium, arsenic or amine compound and boric acid; advanced polyepoxides; storage stability THE DOW CHEMICAL COMPANY (US) 1992-12-08 US claimed
EP-0458502-A2 Latent catalysts, cure-inhibited epoxy resin compositions and laminates prepared therefrom THE DOW CHEMICAL COMPANY (US) 1991-11-27 EP claimed
EP-0458502-B1 Latent catalysts, cure-inhibited epoxy resin compositions and laminates prepared therefrom DOW GLOBAL TECHNOLOGIES INC (US) 2003-06-18 EP disclosed
EP-0328020-B1 Use of a catalyst in epoxy compositions DOW CHEMICAL CO (US) 1996-10-09 EP disclosed
US-5407977-A Anhydrous mixtures containing protic organic solvents and methoxy acetone with curing agents, catalysts and/or inhibitors for epoxy and polyepoxy resins THE DOW CHEMICAL COMPANY (US) 1995-04-18 US disclosed
EP-0639599-A1 Solvent system and epoxy resin composition THE DOW CHEMICAL COMPANY (US) 1995-02-22 EP disclosed
US-5342865-A Solvent system THE DOW CHEMICAL COMPANY (US) 1994-08-30 US disclosed
EP-0567248-A1 Solvent system THE DOW CHEMICAL COMPANY (US) 1993-10-27 EP disclosed
EP-0553887-A2 Catalysts and epoxy resin composition containing the same THE DOW CHEMICAL COMPANY (US) 1993-08-04 EP disclosed
US-5169473-A Complex of an onium, arsenic or amine compound and boric acid; advanced polyepoxides; storage stability THE DOW CHEMICAL COMPANY (US) 1992-12-08 US disclosed
EP-0458502-A2 Latent catalysts, cure-inhibited epoxy resin compositions and laminates prepared therefrom THE DOW CHEMICAL COMPANY (US) 1991-11-27 EP disclosed
EP-0328020-A2 Use of a catalyst in epoxy compositions THE DOW CHEMICAL COMPANY (US) 1989-08-16 EP disclosed