Acetic Acid

Acetic Acid

SCHEMBL8772068

C#CC(N)N.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O

nearest known ligand 0.44

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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 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
CYP2D6 P10635 1/20 0.42
NFKB1 P19838 1/20 0.42
SLC7A5 Q01650 2/20 0.35
GRIK1 P39086 4/20 0.33
GRIK2 Q13002 3/20 0.33
ALOX15 P16050 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
SLC1A3 P43003 2/20 0.32
SLC1A2 P43004 2/20 0.32
SLC1A1 P43005 2/20 0.32
GABRP O00591 4/20 0.31
GABRD O14764 4/20 0.31
GABRA1 P14867 4/20 0.31
GABRB1 P18505 4/20 0.31

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 SCHEMBL10589745 0.75
Acetic Acid SCHEMBL4807645 0.75
SCHEMBL7523366 0.73
Acetic Acid SCHEMBL27717337 0.72 FFAR3 (0.58) FFAR3LCKFYNLMNAMAPT
Acetic Acid SCHEMBL670655 0.72 FFAR3 (0.58) FFAR3LCKFYNLMNAMAPT
Acetic Acid SCHEMBL28157960 0.72
Acetic Acid SCHEMBL9151775 0.72 FFAR3 (0.58) FFAR3LCKFYNLMNAMAPT
Acetic Acid SCHEMBL44094 0.72
Acetic Acid SCHEMBL4292108 0.69 FFAR3 (0.54) FFAR3LCKFYNLMNASLC7A5
Acetic Acid SCHEMBL18813849 0.69 FFAR3 (0.54) FFAR3LCKFYNLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0621507-B1 Colour development composition and processing method using composition CHUGAI SHASHIN YAKUHIN (JP) 1997-10-08 EP disclosed
US-5466565-A Color development composition and process CHUGAI PHOTE CHEMICAL CO., LTD. (JP) 1995-11-14 US disclosed
EP-0621507-A1 Colour development composition and processing method using composition CHUGAI PHOTO CHEMICAL CO. LTD. (JP) 1994-10-26 EP disclosed