Acetic Acid

Acetic Acid

SCHEMBL11512957

C=C(CCN(C)C)C(=O)O.CC(=O)O

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 14)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 4/20 0.34
EGFR P00533 2/20 0.33
PAOX Q6QHF9 1/20 0.33
KDM4A O75164 11/20 0.32
KDM4C Q9H3R0 11/20 0.32
KDM5A P29375 1/20 0.32
KDM7A Q6ZMT4 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
TET3 O43151 1/20 0.32
TET1 Q8NFU7 1/20 0.32
FFAR3 O14843 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32

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
SCHEMBL30785151 0.95 TET2 (0.37) TET2EGFRKDM4AKDM4CKDM5A
SCHEMBL22345 0.95 TET2 (0.37) TET2EGFRKDM4AKDM4CKDM5A
Ammonia Solution, Strong SCHEMBL9070321 0.93 TET2 (0.35) TET2EGFRKDM4AKDM4CKDM5A
Hydrochloric Acid SCHEMBL1155810 0.93 KDM4A (0.37) TET2EGFRKDM4AKDM4CKDM5A
Bromomethane SCHEMBL7095815 0.91 TET2 (0.34) TET2EGFRKDM4AKDM4CKDM5A
Chloromethane SCHEMBL124968 0.91 TET2 (0.39) TET2EGFRKDM4AKDM4CKDM5A
Hydrochloric Acid SCHEMBL28345645 0.91 KDM4A (0.36) TET2EGFRKDM4AKDM4CKDM5A
SCHEMBL4242756 0.87 KDM4A (0.38) PAOXKDM4AKDM4CKDM5AKDM7A
Sulfuric Acid SCHEMBL1155538 0.87 GSR (0.36) TET2EGFRPAOXKDM4AKDM4C
SCHEMBL8736374 0.87 MAPT (0.39) TET2EGFRPAOXKDM4AKDM4C

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
US-4148949-A Method of increasing polymerization reaction rates in the production of a fiber-thermoplastic matrix by in situ bulk polymerization WEYERHAEUSER COMPANY (US) 1979-04-10 US disclosed
US-4051214-A METHOD OF CONTROLLING MONOMER LOSS DURING THE PRODUCTION OF A FIBER-THERMOPLASTIC MATRIX BY IN SITU BULK POLYMERIZATION WEYERHAEUSER COMPANY (US) 1977-09-27 US disclosed