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Acetic Acid

Acetic Acid

SCHEMBL2857385

CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC1(C)CC(=O)CC(C)(C)N1O.CC1(C)CC(=O)CC(C)(C)N1O.CC1(C)CC(=O)CC(C)(C)N1O.CC1(C)CC(=O)CC(C)(C)N1O.CC1(C)CC(=O)CC(C)(C)N1O.NCCNCCN

nearest known ligand 0.33

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
▸ PAOX Q6QHF9 1/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CA12 O43570 2/20 0.31
▸ CA6 P23280 2/20 0.31
▸ CA7 P43166 2/20 0.31
▸ CA9 Q16790 2/20 0.31
▸ CA14 Q9ULX7 2/20 0.31
▸ CA5B Q9Y2D0 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ ACE2 Q9BYF1 1/20 0.31
▸ LMNA P02545 2/20 0.30
▸ TDP1 Q9NUW8 2/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA3 P07451 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ CA4 P22748 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 SCHEMBL27603057 1.00 PAOX (0.33) PAOXKMT2AALDH1A1MAPTCA12
SCHEMBL3936347 0.94 CA12 (0.36) PAOXKMT2AALDH1A1CA12CA6
SCHEMBL27460943 0.94 CA12 (0.36) PAOXKMT2AALDH1A1CA12CA6
Acetic Acid SCHEMBL27533996 0.89 KMT2A (0.36) KMT2AALDH1A1MAPTMEN1ALOX15
Acetic Acid SCHEMBL2854448 0.89 KMT2A (0.36) KMT2AALDH1A1MAPTMEN1ALOX15
Acetic Acid SCHEMBL986789 0.83 KMT2A (0.40) KMT2AALDH1A1MAPTMEN1ALOX15
SCHEMBL7143001 0.81 S1PR2 (0.39) ALDH1A1LMNA
Tempol Hydroxylamine SCHEMBL2858010 0.78 GAA (0.34) PAOXKMT2AALDH1A1CA12CA6
Tempol Hydroxylamine SCHEMBL27621676 0.78 GAA (0.34) PAOXKMT2AALDH1A1CA12CA6
SCHEMBL85990 0.75 GAA (0.38) KMT2AALDH1A1MAPTMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1499286-B1 STABILIZED BODY CARE PRODUCTS AND HOUSEHOLD PRODUCTS BASF SE (DE) 2010-04-07 — — EP claimed
EP-1954457-B1 COLOR STABILIZATION OF CORK AND COLORED WOODS BY THE COMBINED USE OF INORGANIC AND ORGANIC UV-ABSORBERS CIBA HOLDING INC (CH) 2009-04-15 — — EP claimed
EP-1362083-A1 INK-JET INK AND RECORDING MATERIAL Ciba SC Holding AG (CH) 2003-11-19 — — EP claimed
WO-2002055618-A1 INK-JET INK AND RECORDING MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-07-18 — — WO claimed
EP-1230276-B1 PHOTOINITIATOR FORMULATIONS CIBA SC HOLDING AG (CH) 2005-12-14 — — EP disclosed
US-6803392-B1 AQUEOUS, STORAGE-STABLE, NON- SEDIMENTING SUSPENSIONS COMPRISING AT LEAST ONE MONO- OR BIS-ACYLPHOSPHINE OXIDE CIBA SPECIALTY CHEMICALS CORPORATION 2004-10-12 — — US disclosed
EP-1362083-A1 INK-JET INK AND RECORDING MATERIAL Ciba SC Holding AG (CH) 2003-11-19 — — EP disclosed
WO-2002055618-A1 INK-JET INK AND RECORDING MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-07-18 — — WO disclosed