Acetic Acid

Acetic Acid

SCHEMBL9301447

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

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 12)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.42
FFAR1 O14842 2/20 0.42
ZDHHC7 Q9NXF8 1/20 0.41
MAPT P10636 1/20 0.41
LCK P06239 1/20 0.41
PPARD Q03181 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
FAAH O00519 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
CPB2 Q96IY4 1/20 0.37

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
SCHEMBL2803737 0.95 ZDHHC7 (0.44) GPR84FFAR1ZDHHC7MAPTLCK
SCHEMBL260349 0.95 ZDHHC7 (0.44) GPR84FFAR1ZDHHC7MAPTLCK
SCHEMBL4119282 0.93 ZDHHC7 (0.42) GPR84FFAR1ZDHHC7MAPTLCK
SCHEMBL7070785 0.84 ZDHHC7 (0.50) GPR84FFAR1ZDHHC7MAPTLCK
SCHEMBL19690704 0.84 ZDHHC7 (0.50) GPR84FFAR1ZDHHC7MAPTLCK
SCHEMBL6772533 0.83 GPR84 (0.42) GPR84FFAR1ZDHHC7MAPTLCK
SCHEMBL13269368 0.82 ZDHHC7 (0.47) GPR84FFAR1ZDHHC7MAPTLCK
SCHEMBL27958014 0.81 GPR84 (0.50) GPR84FFAR1ZDHHC7MAPTLCK
Acetic Acid SCHEMBL8675920 0.79 CPB2 (0.53) GPR84FFAR1ZDHHC7MAPTLCK
Acetic Acid SCHEMBL4741906 0.79 CPB2 (0.53) GPR84FFAR1ZDHHC7MAPTLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0540118-B1 Photographic material and process EASTMAN KODAK CO (US) 1994-12-14 EP disclosed
US-5334490-A Magenta development inhibitor releasing coupler EASTMAN KODAK COMPANY (US) 1994-08-02 US disclosed
EP-0577210-A1 A method of preparing a magenta development inhibitor releasing coupler EASTMAN KODAK COMPANY (US) 1994-01-05 EP disclosed
EP-0540118-A1 Photographic material and process EASTMAN KODAK COMPANY (US) 1993-05-05 EP disclosed