SCHEMBL187761

SCHEMBL187761

CC(OC(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 1/20 0.47
GAA P10253 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
CYP2C19 P33261 1/20 0.47
CYP2D6 P10635 1/20 0.46
SRC P12931 1/20 0.46
LMNA P02545 3/20 0.45
MAPK1 P28482 2/20 0.45
PTGS1 P23219 3/20 0.43
PTGS2 P35354 3/20 0.42
APAF1 O14727 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CXCR1 P25024 1/20 0.41
CXCR2 P25025 1/20 0.41
RECQL P46063 1/20 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
SCHEMBL6898472 0.83 HCAR2 (0.49) KMT2ACYP1A2GAACYP2C9PKM
SCHEMBL2828624 0.80 KMT2A (0.44) KMT2ACYP1A2GAACYP2C9PKM
SCHEMBL809270 0.79 KMT2A (0.43) KMT2ACYP1A2GAACYP2C9PKM
SCHEMBL3671462 0.79 KMT2A (0.43) KMT2ACYP1A2GAACYP2C9PKM
SCHEMBL28262203 0.78 CYP2D6 (0.56) KMT2ACYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL9292209 0.78 ATM (0.41) KMT2AMAPK1MAPTRECQLALDH1A1
SCHEMBL28797863 0.77 KMT2A (0.46) KMT2ACYP1A2GAACYP2C9PKM
SCHEMBL3450178 0.77 ALOX5 (0.43) KMT2ACYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL3450177 0.77 ALOX5 (0.43) KMT2ACYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL7417686 0.77 GSR (0.49) KMT2ACYP1A2GAACYP2C9PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2323483-A2 HERBICIDAL-SAFENER-COMBINATION COMPRISING DIMETHOXYTRIAZINYL- SUBSTITUTED DIFLUORMETHANE SULFONYLANILIDES Bayer CropScience AG (DE) 2011-05-25 EP claimed
JP-4653307-B2 2011-03-16 JP claimed
WO-2010017925-A2 HERBICIDAL-SAFENER-COMBINATION COMPRISING DIMETHOXYTRIAZINYL- SUBSTITUTED DIFLUORMETHANE SULFONYLANILIDES BAYER CROPSCIENCE AG (DE) 2010-02-18 WO claimed
EP-1453378-B1 HERBICIDAL AGENTS CONTAINING BENZOYLPYRAZOLES AND SAFENERS BAYER CROPSCIENCE GMBH (DE) 2006-08-23 EP claimed
EP-1383382-B1 HERBICIDAL AGENT COMPRISING BENZOYLCYCLOHEXANEDIONES AND SAFENERS BAYER CROPSCIENCE GMBH (DE) 2006-03-08 EP claimed
EP-1453378-A1 HERBICIDAL AGENTS CONTAINING BENZOYLPYRAZOLES AND SAFENERS Bayer CropScience GmbH (DE) 2004-09-08 EP claimed
EP-1383382-A2 HERBICIDAL AGENT COMPRISING BENZOYLCYCLOHEXANEDIONES AND SAFENERS Bayer CropScience GmbH (DE) 2004-01-28 EP claimed
EP-1130965-B1 COMBINATIONS OF HERBICIDES AND SAFENERS BAYER CROPSCIENCE GMBH (DE) 2003-10-29 EP claimed
WO-2003043423-A1 HERBICIDAL AGENTS CONTAINING BENZOYLPYRAZOLES AND SAFENERS BAYER CROPSCIENCE GMBH (DE) 2003-05-30 WO claimed
WO-2002085120-A2 HERBICIDAL AGENT COMPRISING BENZOYLCYCLOHEXANEDIONES AND SAFENERS BAYER CROPSCIENCE GMBH (DE) 2002-10-31 WO claimed
JP-2002518416-A 2002-06-25 JP claimed
EP-1206185-A1 COMBINATIONS CONSISTING OF HERBICIDES AND SAFENERS Aventis CropScience GmbH (DE) 2002-05-22 EP claimed
EP-1206188-A1 HERBICIDE/SAFENER COMBINATION PRODUCTS Aventis CropScience GmbH (DE) 2002-05-22 EP claimed
EP-1130965-A1 COMBINATIONS OF HERBICIDES AND SAFENERS Aventis CropScience GmbH (DE) 2001-09-12 EP claimed
EP-1089627-A1 COMBINATION OF HERBICIDES AND SAFENERS Aventis CropScience GmbH (DE) 2001-04-11 EP claimed
WO-2001008488-A1 HERBICIDE/SAFENER COMBINATION PRODUCTS AVENTIS CROPSCIENCE GMBH (DE) 2001-02-08 WO claimed
WO-2001008487-A1 COMBINATIONS CONSISTING OF HERBICIDES AND SAFENERS AVENTIS CROPSCIENCE GMBH (DE) 2001-02-08 WO claimed
WO-2000030447-A1 COMBINATIONS OF HERBICIDES AND SAFENERS AVENTIS CROPSCIENCE GMBH (DE) 2000-06-02 WO claimed
WO-1999066795-A1 COMBINATION OF HERBICIDES AND SAFENERS AVENTIS CROPSCIENCE GMBH (DE) 1999-12-29 WO claimed
US-4964893-A REDUCING INJURY TO A CROP PLANT MONSANTO COMPANY (US) 1990-10-23 US claimed