Acetic Acid

Acetic Acid

SCHEMBL2486536

CC(=O)O.CCCCCCCCCCC(CC)OC(CC)CCCCCCCCCC

nearest known ligand 0.48

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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 0.48
FFAR1 O14842 2/20 0.48
MAPT P10636 1/20 0.47
LCK P06239 1/20 0.47
PPARD Q03181 1/20 0.47
ZDHHC20 Q5W0Z9 1/20 0.47
ZDHHC2 Q9UIJ5 1/20 0.47
FFAR4 Q5NUL3 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
ZDHHC7 Q9NXF8 1/20 0.43
CA2 P00918 1/20 0.41
FAAH O00519 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
Acetic Acid SCHEMBL20543512 0.98 GPR84 (0.45) GPR84FFAR1MAPTLCKPPARD
SCHEMBL1932662 0.87 LMNA (0.42) GPR84FFAR1ZDHHC7
SCHEMBL10958705 0.87 LMNA (0.42) GPR84FFAR1ZDHHC7
SCHEMBL1931289 0.87 LMNA (0.42) GPR84FFAR1ZDHHC7
SCHEMBL1932427 0.87 LMNA (0.42) GPR84FFAR1ZDHHC7
SCHEMBL2848647 0.87 LMNA (0.42) GPR84FFAR1ZDHHC7
SCHEMBL1068793 0.87 LMNA (0.42) GPR84FFAR1ZDHHC7
SCHEMBL1931396 0.87 LMNA (0.42) GPR84FFAR1ZDHHC7
SCHEMBL9501255 0.87 LMNA (0.42) GPR84FFAR1ZDHHC7
SCHEMBL1931514 0.87 LMNA (0.42) GPR84FFAR1ZDHHC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376583-A1 INKJET INK, INK CARTRIDGE, IMAGE FORMING DEVICE, IMAGE FORMING METHOD, AND IMAGE FORMED MATTER Ricoh Company, Ltd. (JP) 2011-10-19 EP disclosed
WO-2010079670-A1 INKJET INK, INK CARTRIDGE, IMAGE FORMING DEVICE, IMAGE FORMING METHOD, AND IMAGE FORMED MATTER RICOH COMPANY, LTD. (JP) 2010-07-15 WO disclosed