Acetic Acid

Acetic Acid

SCHEMBL2393294

CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.NC1CCC(N)CC1

nearest known ligand 0.47

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 16)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
GABRR1 P24046 1/20 0.36
SMYD3 Q9H7B4 6/20 0.36
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TLR4 O00206 1/20 0.32
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32

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 SCHEMBL1764196 1.00 FFAR3 (0.47) FFAR3LCKFYNGABRR1SMYD3
Acetic Acid SCHEMBL3255995 0.97
Acetic Acid SCHEMBL27585800 0.93
Acetic Acid SCHEMBL11819370 0.89 FFAR3 (0.37) FFAR3LCKFYNGABRR1SMYD3
Cyclopentanamine SCHEMBL1712011 0.88 FFAR3 (0.41) FFAR3LCKFYNGABRR1
Acetic Acid SCHEMBL27649071 0.87 FFAR3 (0.35) FFAR3LCKFYNSMYD3ALOX15
Cyclohexylamine SCHEMBL1427270 0.85 MMP8 (0.43) FFAR3LCKFYN
Cyclopentanamine SCHEMBL27737094 0.85 MMP8 (0.39) FFAR3LCKFYNGNAI3GNAO1
Cyclohexylamine SCHEMBL27738388 0.85 MMP8 (0.43) FFAR3LCKFYN
Cyclohexylamine SCHEMBL27242018 0.85 MMP8 (0.43) FFAR3LCKFYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017563-B2 Diverting compositions, fluid loss control pills, and breakers thereof M-I L.L.C. (US) 2011-09-13 US claimed
EP-1991634-A1 DIVERTING COMPOSITIONS, FLUID LOSS CONTROL PILLS, AND BREAKERS THEREOF M-I L.L.C. (US) 2008-11-19 EP claimed
US-20070213233-A1 DIVERTING COMPOSITIONS, FLUID LOSS CONTROL PILLS, AND BREAKERS THEREOF M-I LLC (US) 2007-09-13 US claimed
WO-2007104054-A1 DIVERTING COMPOSITIONS, FLUID LOSS CONTROL PILLS, AND BREAKERS THEREOF M-I LLC (US) 2007-09-13 WO claimed
US-8017563-B2 Diverting compositions, fluid loss control pills, and breakers thereof M-I L.L.C. (US) 2011-09-13 US disclosed
US-7762657-B2 Inkjet ink, processing liquid for inkjet ink, ink set for inkjet ink, ink tank for inkjet ink, inkjet recording method and inkjet recording apparatus FUJI XEROX CO., LTD. (JP) 2010-07-27 US disclosed
EP-1991634-A1 DIVERTING COMPOSITIONS, FLUID LOSS CONTROL PILLS, AND BREAKERS THEREOF M-I L.L.C. (US) 2008-11-19 EP disclosed
US-20070213233-A1 DIVERTING COMPOSITIONS, FLUID LOSS CONTROL PILLS, AND BREAKERS THEREOF M-I LLC (US) 2007-09-13 US disclosed
WO-2007104054-A1 DIVERTING COMPOSITIONS, FLUID LOSS CONTROL PILLS, AND BREAKERS THEREOF M-I LLC (US) 2007-09-13 WO disclosed
US-7182452-B2 Ink set for ink jet recording, ink jet recording method, and ink jet recording apparatus FUJI XEROX CO., LTD. (JP) 2007-02-27 US disclosed
US-20060293410-A1 Inkjet ink, processing liquid for inkjet ink, ink set for inkjet ink, ink tank for inkjet ink, inkjet recording method and inkjet recording apparatus FUJI XEROX CO., LTD. (JP) 2006-12-28 US disclosed
US-7018459-B2 Ink set for ink-jet recording, ink-jet recording method and ink-jet recording apparatus FUJI XEROX CO., LTD. (JP) 2006-03-28 US disclosed
US-20050012796-A1 Ink set for ink-jet recording, ink-jet recording method and ink-jet recording apparatus FUJI XEROX CO., LTD. (JP) 2005-01-20 US disclosed
US-20040257418-A1 Ink set for ink jet recording, ink jet recording method, and ink jet recording apparatus FUJI XEROX CO., LTD. (JP) 2004-12-23 US disclosed