Acetic Acid

Acetic Acid

SCHEMBL14786580

CC(=O)O.c1cc2cc(-c3ccc4nc(C5=NCCCN5)cn4c3)[nH]c2cc1C1=NCCCN1

nearest known ligand 0.53

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 6)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 4/20 0.42
▸ PRMT3 O60678 1/20 0.42
▸ EHMT2 Q96KQ7 1/20 0.42
▸ PRMT6 Q96LA8 1/20 0.42
▸ PRMT8 Q9NR22 1/20 0.42
▸ NISCH Q9Y2I1 2/20 0.38

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
SCHEMBL14816832 0.93 PRMT1 (0.47) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL14816857 0.89 PRMT1 (0.45) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL14816838 0.87 PRMT1 (0.53) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL14854502 0.86 PRMT1 (0.46) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL14816831 0.82 PRMT1 (0.48) PRMT1PRMT3EHMT2PRMT6PRMT8
Acetic Acid SCHEMBL14784386 0.80 PRMT1 (0.48) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL14816854 0.80 PRMT1 (0.44) PRMT1PRMT3EHMT2PRMT6PRMT8
Acetic Acid SCHEMBL14842869 0.80 PRMT1 (0.46) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL14854584 0.79 PRMT3 (0.41) PRMT1PRMT3EHMT2PRMT6PRMT8
Acetic Acid SCHEMBL14786469 0.79 PRMT1 (0.46) PRMT1PRMT3EHMT2PRMT6PRMT8

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
WO-2013040528-A1 ANTIMICROBIAL COMPOUNDS MICROBIOTIX, INC. (US) 2013-03-21 — — WO disclosed
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