Acetic Acid

Acetic Acid

SCHEMBL7201352

CC(=O)[O-].CC(=O)[O-].Cc1ccc(C[P+](c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc(C[P+](c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1

nearest known ligand 0.46

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 15)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.41
ACACB O00763 1/20 0.40
LMNA P02545 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 1/20 0.38
MAOB P27338 1/20 0.37
CTBP2 P56545 1/20 0.36
SRD5A2 P31213 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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 SCHEMBL7197898 0.96 SNCA (0.42) SNCAACACBLMNANPC1RAB9A
Acetic Acid SCHEMBL8750085 0.91 SNCA (0.45) SNCANPC1RAB9ASMN1; SMN2PPARG
Acetic Acid SCHEMBL7198013 0.90 SNCA (0.44) SNCANPC1RAB9ASMN1; SMN2PPARG
Succinic Acid SCHEMBL7197891 0.89 SNCA (0.39) SNCAACACBNPC1RAB9AHPGD
Acetic Acid SCHEMBL8750041 0.89 LDHA (0.47) LMNANPC1RAB9ASMN1; SMN2TDP1
Acetic Acid SCHEMBL7192921 0.87 LDHA (0.49) LMNASMN1; SMN2TDP1MEN1KMT2A
Iodide SCHEMBL7197935 0.84 SNCA (0.44) SNCANPC1RAB9AHPGDTDP1
Hydrochloric Acid SCHEMBL7195007 0.84 SNCA (0.44) SNCATDP1MEN1KMT2A
Bromide SCHEMBL7197676 0.84 SNCA (0.47) SNCANPC1RAB9ATDP1MEN1
Acetic Acid SCHEMBL8750074 0.84 RAB9A (0.43) SNCAACACBLMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0624173-B2 PRECATALYZED CATALYST COMPOSITIONS, PROCESS FOR PREPARING RESINS DOW CHEMICAL CO (US) 2003-04-09 EP claimed
EP-0624173-B1 PRECATALYZED CATALYST COMPOSITIONS, PROCESS FOR PREPARING RESINS DOW CHEMICAL CO (US) 1997-04-02 EP claimed
US-5310853-A Epoxy resins THE DOW CHEMICAL COMPANY (US) 1994-05-10 US claimed
EP-0624173-B1 PRECATALYZED CATALYST COMPOSITIONS, PROCESS FOR PREPARING RESINS DOW CHEMICAL CO (US) 1997-04-02 EP disclosed
US-5360886-A Alklyphenylphosphine or phosphonium catalyst THE DOW CHEMICAL COMPANY (US) 1994-11-01 US disclosed
US-5310853-A Epoxy resins THE DOW CHEMICAL COMPANY (US) 1994-05-10 US disclosed
US-5202407-A Phosphonium or phosphine catalyst having at least three alkylphenyl groups attached to phosphorus atom THE DOW CHEMICAL COMPANY (US) 1993-04-13 US disclosed