Acetic Acid

Acetic Acid

SCHEMBL9629062

CC(=O)O.NCC(=O)NCC(N)=O

nearest known ligand 0.34

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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 19)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.34
MMP2 P08253 1/20 0.33
GLRA1 P23415 1/20 0.33
SLC6A9 P48067 1/20 0.33
OR51E2 Q9H255 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
AOC3 Q16853 2/20 0.33
FFAR3 O14843 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
LMNA P02545 1/20 0.30
ALOX15 P16050 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
PAOX Q6QHF9 2/20 0.30
RECQL P46063 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 SCHEMBL10662111 0.96 TERT (0.36) TERTMMP2GLRA1SLC6A9OR51E2
Acetic Acid SCHEMBL10659181 0.96 TERT (0.36) TERTMMP2GLRA1SLC6A9OR51E2
SCHEMBL460909 0.91
Bromide SCHEMBL31286408 0.88 TERT (0.37) TERTMMP2GLRA1SLC6A9OR51E2
Hydrochloric Acid SCHEMBL10500070 0.88 TERT (0.37) TERTMMP2GLRA1SLC6A9OR51E2
SCHEMBL31047740 0.86 SOST (0.36) GLRA1SLC6A9OR51E2LMNAALOX15
SCHEMBL23417923 0.86 TERT (0.40) TERTMMP2GLRA1SLC6A9OR51E2
SCHEMBL18515598 0.86 TERT (0.40) TERTMMP2GLRA1SLC6A9OR51E2
SCHEMBL18804442 0.86 TERT (0.40) TERTMMP2GLRA1SLC6A9OR51E2
SCHEMBL5176791 0.86 TERT (0.40) TERTMMP2GLRA1SLC6A9OR51E2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0207681-B1 PYRROLIDONE DERIVATIVES ISF SOCIETA PER AZIONI (IT) 1992-03-18 EP disclosed
EP-0207680-B1 CHEMICAL COMPOUNDS ISF SOCIETA PER AZIONI (IT) 1990-08-29 EP disclosed
US-4868313-A LEARNING ENHANCEMENT I.S.F. SOCIETA PER AZIONI (IT) 1989-09-19 US disclosed
US-4824861-A Pyrrolidone derivatives and memory enhancement use thereof ISF SOCIETA PER AZIONI (IT) 1989-04-25 US disclosed
US-4719222-A LEARNING AND MEMORY ENHANCEMENT SOCIETE I.S.F. S.P.A. (IT) 1988-01-12 US disclosed
US-4703054-A Nootropic imidazolidinones ISF, S.P.A. (IT) 1987-10-27 US disclosed
EP-0207680-A2 Chemical compounds ISF SOCIETA PER AZIONI (IT) 1987-01-07 EP disclosed
EP-0207681-A2 Pyrrolidone derivatives ISF SOCIETA PER AZIONI (IT) 1987-01-07 EP disclosed
EP-0206729-A2 Pharmacologically active compounds ISF SOCIETA PER AZIONI (IT) 1986-12-30 EP disclosed