Acetic Acid

Acetic Acid

SCHEMBL9251656

CC(=O)O.COC(=O)C(Nc1cc(C(=O)O)ccc1NCCCN)C(N)=O.Cl

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

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 18)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 2/20 0.42
▸ HCAR3 P49019 5/20 0.38
▸ MAPT P10636 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ THRB P10828 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ PLEC Q15149 1/20 0.36
▸ KDM4C Q9H3R0 1/20 0.36
▸ BRD4 O60885 5/20 0.35
▸ KAT2B Q92831 2/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NEU3 Q9UQ49 1/20 0.33

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
Hydrochloric Acid SCHEMBL9252440 0.87 MAPT (0.46) PTGER4HCAR3MAPTKDM4EALDH1A1
SCHEMBL9251961 0.86 HCAR3 (0.50) PTGER4HCAR3MAPTKDM4EALDH1A1
SCHEMBL9246315 0.83 HDAC6 (0.44) PTGER4MAPTKDM4EALDH1A1KDM4C
Hydrochloric Acid SCHEMBL9256207 0.81 KDM4E (0.38) PTGER4HCAR3MAPTKDM4EALDH1A1
SCHEMBL9251862 0.79 HCAR3 (0.43) PTGER4HCAR3MAPTKDM4EALDH1A1
SCHEMBL9252729 0.78 MAPT (0.60) MAPTGAAHTT
SCHEMBL9246140 0.75 ALDH1A1 (0.42) MAPTALDH1A1MEN1KMT2A
SCHEMBL9255341 0.73 KDM4E (0.45) MAPTKDM4EALDH1A1GAAMEN1
Hydrochloric Acid SCHEMBL9248913 0.67 PTGER4 (0.39) PTGER4HCAR3MAPTKDM4EALDH1A1
SCHEMBL9256135 0.67 ALDH1A1 (0.46) MAPTKDM4EALDH1A1GAATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5434150-A Anticoagulants, cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1995-07-18 — — US disclosed
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