Acetic Acid

Acetic Acid

SCHEMBL27771245

CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.NCCN(Cc1ccccc1)N=C=S

nearest known ligand 0.45

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 20)

geneUniProtsupporting neighboursconfidence
▸ MC4R known ✓ P32245 1/20 0.35
▸ NOS2 known ✓ P35228 1/20 0.35
▸ CARM1 Q86X55 1/20 0.45
▸ PRMT6 Q96LA8 1/20 0.45
▸ PRMT8 Q9NR22 1/20 0.45
▸ G6PC1 P35575 1/20 0.42
▸ CA12 O43570 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ LMNA P02545 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ LIMK2 P53671 1/20 0.36
▸ TSPO P30536 1/20 0.35
▸ MC5R P33032 1/20 0.35
▸ MC3R P41968 1/20 0.35
▸ AOC3 Q16853 1/20 0.35

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
SCHEMBL28055858 0.91 CARM1 (0.49) CARM1PRMT6PRMT8G6PC1CA12
Acetic Acid SCHEMBL28005843 0.87 REN (0.42) CARM1PRMT6PRMT8G6PC1CA12
Acetic Acid SCHEMBL28850624 0.83 REN (0.39) CARM1PRMT6PRMT8G6PC1CA12
Acetic Acid SCHEMBL8076704 0.79 MEN1 (0.36) G6PC1CA12CA9NPC1RAB9A
SCHEMBL7061213 0.77 MAOA (0.39) CARM1PRMT6PRMT8G6PC1MAOA
Acetic Acid SCHEMBL28964371 0.76 KEAP1 (0.39) NPC1RAB9AKMT2AMEN1
Acetic Acid SCHEMBL28784356 0.75 CARM1 (0.56) CARM1PRMT6PRMT8CA12CA9
Acetic Acid SCHEMBL2252047 0.75 CARM1 (0.56) CARM1PRMT6PRMT8CA12CA9
Acetic Acid SCHEMBL28010133 0.75 CARM1 (0.56) CARM1PRMT6PRMT8CA12CA9
Acetic Acid SCHEMBL8440715 0.75 CARM1 (0.56) CARM1PRMT6PRMT8CA12CA9

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
CN-105388280-A Indirect competitive ELISA kit and detection method for detecting content of mercury in textiles based on mercury monoclonal antibody JIANGSU ACAD OF SCIENCE AND TECH FOR INSPECTION AND QUARANTINE 2016-03-09 — — CN claimed
CN-105388280-A Indirect competitive ELISA kit and detection method for detecting content of mercury in textiles based on mercury monoclonal antibody JIANGSU ACAD OF SCIENCE AND TECH FOR INSPECTION AND QUARANTINE 2016-03-09 — — CN disclosed
CN-101655499-A Indirect competitive enzyme-linked immunosorbent assay for measuring heavy metal mercury NANJING UNIVERSITY OF TECHNOLOGY 2010-02-24 — — CN disclosed
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