Acetic Acid

Acetic Acid

SCHEMBL7200767

CC(=O)O.CC(=O)[O-].Cc1cccc([P+](CCCO)(c2cccc(C)c2)c2cccc(C)c2)c1

nearest known ligand 0.38

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
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KIF11 P52732 3/20 0.34
ACP3 P15309 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
CTBP2 P56545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PARP1 P09874 1/20 0.33
ACHE P22303 1/20 0.33

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 SCHEMBL8750091 0.97 LMNA (0.36) TSHRALDH1A1CYP1A2CYP2D6CYP2C19
Succinic Acid SCHEMBL7200763 0.89 ALDH1A1 (0.36) TSHRALDH1A1CYP1A2CYP2D6CYP2C19
Phosphoric Acid SCHEMBL7198172 0.87 ACP3 (0.40) ALDH1A1ACP3TAS1R3TAS1R1ACHE
Bromide SCHEMBL7194984 0.86 ACHE (0.38) ALDH1A1CYP1A2CYP2D6CYP2C19ACP3
Iodide SCHEMBL7193531 0.86 ACHE (0.38) ALDH1A1CYP1A2CYP2D6CYP2C19ACP3
Hydrochloric Acid SCHEMBL7197214 0.86 ACHE (0.38) ALDH1A1CYP1A2CYP2D6CYP2C19ACP3
Acetic Acid SCHEMBL7195816 0.82 TDP1 (0.38) TSHRALDH1A1LMNAHSD17B10ACP3
Acetic Acid SCHEMBL7192906 0.82 ALDH1A1 (0.36) TSHRALDH1A1CYP1A2CYP2D6CYP2C19
Acetic Acid SCHEMBL8750056 0.79 STAT3 (0.35) TSHRALDH1A1CYP1A2CYP2D6CYP2C19
Acetic Acid SCHEMBL8750089 0.79 HPGD (0.40) TSHRALDH1A1LMNAHSD17B10ACP3

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 disclosed
EP-0624173-B1 PRECATALYZED CATALYST COMPOSITIONS, PROCESS FOR PREPARING RESINS DOW CHEMICAL CO (US) 1997-04-02 EP disclosed
EP-0624173-A1 PRECATALYZED CATALYST COMPOSITIONS, PROCESS FOR PREPARING RESINS. DOW CHEMICAL CO (US) 1994-11-17 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
WO-1993015126-A1 PRECATALYZED CATALYST COMPOSITIONS, PROCESS FOR PREPARING RESINS THE DOW CHEMICAL COMPANY (US) 1993-08-05 WO 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