SCHEMBL108493

SCHEMBL108493

CCC(=O)C(=O)Cc1ccc(O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.67
FNTB P49356 1/20 0.67
CA2 P00918 2/20 0.56
CAMK2A Q9UQM7 1/20 0.56
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
CTBP2 P56545 1/20 0.46
LMNA P02545 3/20 0.44
ESR1 P03372 7/20 0.44
ESR2 Q92731 5/20 0.44
SHBG P04278 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ADRA2A P08913 3/20 0.41
ADORA3 P0DMS8 3/20 0.41
TACR2 P21452 3/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
ALDH1A1 P00352 2/20 0.41

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
SCHEMBL1681597 0.83 HPGD (0.50) FNTAFNTBCES2CES1CTBP2
Kurasoin A SCHEMBL30799774 0.80 FNTA (1.00) FNTAFNTBCA2CAMK2ACES2
SCHEMBL43309 0.80 CA2 (0.58) FNTAFNTBCA2CAMK2ACTBP2
SCHEMBL108976 0.80 CES1 (0.77) FNTAFNTBCES2CES1CTBP2
SCHEMBL106957 0.78 FNTA (0.60) FNTAFNTBCA2CAMK2ACES2
4-Hydroxyphenylpyruvic Acid SCHEMBL24157 0.77 FNTA (0.72) FNTAFNTBCA2CAMK2ACES2
SCHEMBL14406040 0.77 FNTA (0.59) FNTAFNTBCA2CAMK2ACES2
SCHEMBL3815450 0.76 FNTA (0.53) FNTAFNTBCA2CAMK2ACTBP2
4-Hydroxyphenylpyruvic Acid SCHEMBL29007535 0.76 FNTA (0.76) FNTAFNTBCA2CAMK2ACES2
Propane SCHEMBL11173846 0.76 CA2 (0.86) FNTAFNTBCA2CAMK2ACTBP2

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 1596 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1790639-B1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS CXCR4-ANTAGONISTS ONO PHARMACEUTICAL CO (JP) 2014-03-26 EP claimed
EP-2463374-A2 Isolated alcohol dehydrogenase enzymes and uses thereof Bio Architecture Lab, Inc. (US) 2012-06-13 EP claimed
EP-1427699-B1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED ARYLSULFONYLAMINOCARBONYL TRIAZOLINONES AND SAFENERS ARYSTA LIFESCIENCE NORTH AMERICA LLC (US) 2011-08-03 EP claimed
US-7951816-B2 Compound containing basic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2011-05-31 US claimed
US-7855166-B2 Sulfonylamino(thio)carbonyl compounds BAYER CROPSCIENCE GMBH (DE) 2010-12-21 US claimed
EP-1392660-B1 SUBSTITUTED BENZOYLCYCLOHEXENONES AND THEIR USE AS HERBICIDAL AGENTS BAYER AG (DE) 2010-08-04 EP claimed
EP-2195440-A2 BIOFUEL PRODUCTION Bio Architecture Lab, Inc. (US) 2010-06-16 EP claimed
US-7642221-B2 herbicides; preparation from chemical intermediates; treating the crops BAYER AKTIENGESELLSCHAFT (DE) 2010-01-05 US claimed
US-7635664-B2 Herbicidal substituted benzoylpyrazoles BAYER CROPSCIENCE AG (DE) 2009-12-22 US claimed
US-7625841-B2 Substituted thiene-3-ylsulphonylamino(thio)carbonyltriazolin(ethi)ones BAYER CROPSCIENCE AG (DE) 2009-12-01 US claimed
US-6251831-B1 WITH SUBSTITUTED PHENYL AND SUBSTITUTED 1,2,4-TRIAZOLE MOIETIES; PRE- AND POST-EMERGENCE HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-06-26 US claimed
US-6200931-B1 FOR CONTROLLING WEEDS BAYER AKTIENGESELLSCHAFT (DE) 2001-03-13 US claimed
US-6200934-B1 FOR COMBATING UNWANTED VEGETATION BAYER AKTIENGESELLSCHAFT (DE) 2001-03-13 US claimed
US-6180567-B1 REACTING 2-ALKOXYCARBONYL-BENZENESULFONAMIDE DERIVATIVE WITH 1,2,4-(1H)TRIAZOLE-5-(THI)ONE DERIVATIVE BAYER AKTIENGESELLSCHAFT (DE) 2001-01-30 US claimed
US-6172225-B1 HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-01-09 US claimed
US-6159903-A Substituted 2-aryl-1,2,4-triazine-3,5-di(thi)ones as herbicides BAYER AKTIENGESELLSCHAFT (DE) 2000-12-12 US claimed
EP-0906270-B1 PROCESS FOR PRODUCING HYDROXYARENES BAYER AG (DE) 2000-10-25 EP claimed
EP-0784431-B1 SYNERGISTIC ACTIVE SUBSTANCE HERBICIDE COMBINATIONS WITH 1-(2,6-DICHLORO-4-DIFLUOROMETHYL-PHENYL)-5-(2-CHLOROPROPIONAMIDO)-4-NITROPYRAZOL BAYER AG (DE) 2000-03-08 EP claimed
US-5990044-A Selective herbicides based on aryl uracils BAYER AKTIENGESELLSCHAFT (DE) 1999-11-23 US claimed
US-4162280-A Preparation of phosphorylated amidines BAYER AKTIENGESELLSCHAFT (DE) 1979-07-24 US claimed