Acetic Acid

Acetic Acid

SCHEMBL2854448

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.NCCN

nearest known ligand 0.36

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
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ALOX15 P16050 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 SCHEMBL27533996 1.00 KMT2A (0.36) KMT2AMAPTGAAMEN1ALDH1A1
Acetic Acid SCHEMBL2863906 0.90 KMT2A (0.40) KMT2AMAPTGAAMEN1ALDH1A1
Acetic Acid SCHEMBL27603057 0.89 PAOX (0.33) KMT2AMAPTGAAMEN1ALDH1A1
Acetic Acid SCHEMBL2857385 0.89 PAOX (0.33) KMT2AMAPTGAAMEN1ALDH1A1
SCHEMBL85990 0.82 GAA (0.38) KMT2AMAPTGAAMEN1ALDH1A1
SCHEMBL27460943 0.80 CA12 (0.36) KMT2AMEN1ALDH1A1ALOX15
Acetic Acid SCHEMBL14237282 0.80 SMN1; SMN2 (0.37) KMT2AMAPTGAAMEN1ALDH1A1
SCHEMBL3936347 0.80 CA12 (0.36) KMT2AMEN1ALDH1A1ALOX15
Hydrochloric Acid SCHEMBL7516042 0.80 GAA (0.37) KMT2AMAPTGAAMEN1ALDH1A1
Nitrilotriacetic Acid SCHEMBL984675 0.76 TDP1 (0.35) KMT2AMAPTGAAMEN1ALDH1A1

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 6 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-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-1230276-A1 PHOTOINITIATOR FORMULATIONS Ciba SC Holding AG (CH) 2002-08-14 EP disclosed
WO-2001029093-A1 PHOTOINITIATOR FORMULATIONS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-04-26 WO disclosed