Acetic Acid

Acetic Acid

SCHEMBL3779110

CC(=O)O.CC1COCCO1

nearest known ligand 0.37

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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 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
FFAR3 O14843 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
HSD17B10 Q99714 1/20 0.30

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 SCHEMBL10447994 0.98 SMN1; SMN2 (0.40) SMN1; SMN2CHRM2CHRM4CHRM5CHRM3
Acetic Acid SCHEMBL16443900 0.94 SMN1; SMN2 (0.33) SMN1; SMN2
Acetic Acid SCHEMBL27508731 0.90 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL2304380 0.85
SCHEMBL93426 0.85
SCHEMBL2306507 0.85
SCHEMBL28861470 0.84 ALDH1A1 (0.30)
Water SCHEMBL1986027 0.83 CHRM2 (0.38) CHRM2CHRM4CHRM5CHRM3
SCHEMBL4919132 0.83 CHRM2 (0.38) CHRM2CHRM4CHRM5CHRM3
SCHEMBL10584489 0.83 CHRM2 (0.38) CHRM2CHRM4CHRM5CHRM3

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
US-12017203-B2 Method for removing a degraded component from a hydrocarbon fluid and a porous medium for achieving the same Indufil BV (NL) 2024-06-25 US claimed
US-12017203-B2 Method for removing a degraded component from a hydrocarbon fluid and a porous medium for achieving the same Indufil BV (NL) 2024-06-25 US disclosed
EP-3969152-A1 METHOD FOR REMOVING A DEGRADED COMPONENT FROM A HYDROCARBON FLUID AND A POROUS MEDIUM FOR ACHIEVING THE SAME Indufil B.V. (NL) 2022-03-23 EP disclosed
US-20200360893-A1 METHOD FOR REMOVING A DEGRADED COMPONENT FROM A HYDROCARBON FLUID AND A POROUS MEDIUM FOR ACHIEVING THE SAME Indufil BV (NL) 2020-11-19 US disclosed
WO-2020229566-A1 METHOD FOR REMOVING A DEGRADED COMPONENT FROM A HYDROCARBON FLUID AND A POROUS MEDIUM FOR ACHIEVING THE SAME Indufil BV (NL) 2020-11-19 WO disclosed
US-7855041-B2 Pigment preparation based on an azo pigment CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2010-12-21 US disclosed
US-20090305156-A1 Pigment preparation based on an azo pigment CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2009-12-10 US disclosed