SCHEMBL855037

SCHEMBL855037

CC(OCC(=O)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.52
HIF1A Q16665 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.46
ALOX15 P16050 2/20 0.45
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
BLM P54132 1/20 0.43
CYP2D6 P10635 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
GLA P06280 1/20 0.43
KCNN4 O15554 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 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
SCHEMBL10334685 0.90 CHRM2 (0.51) CYP2C19HIF1ASMN1; SMN2MAPTKMT2A
SCHEMBL5038981 0.84 ALOX15 (0.52) CYP2C19HIF1ASMN1; SMN2ALOX15MAPT
SCHEMBL9292260 0.83 KCNN4 (0.47) CYP2C19HIF1ASMN1; SMN2ALOX15MAPT
SCHEMBL29110361 0.81 CYP2C19 (0.48) CYP2C19HIF1ASMN1; SMN2ALOX15MAPT
SCHEMBL10334914 0.80 POLB (0.50) SMN1; SMN2MAPTKMT2APOLBGLA
SCHEMBL40498 0.79 KIF11 (0.50) CYP2C19HIF1ASMN1; SMN2ALOX15MAPT
SCHEMBL3889435 0.77 PAM (0.46) CYP2C19HIF1ASMN1; SMN2ALOX15CYP2D6
SCHEMBL18203958 0.77 L3MBTL1 (0.44) CYP2C19HIF1ASMN1; SMN2ALOX15MAPT
SCHEMBL29140121 0.76 ALOX15 (0.45) CYP2C19HIF1ASMN1; SMN2ALOX15MAPT
SCHEMBL3887176 0.74 CYP2C19 (0.50) CYP2C19HIF1ASMN1; SMN2ALOX15MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4653307-B2 2011-03-16 JP 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-1206188-A1 HERBICIDE/SAFENER COMBINATION PRODUCTS Aventis CropScience GmbH (DE) 2002-05-22 EP claimed
EP-1206185-A1 COMBINATIONS CONSISTING OF HERBICIDES AND SAFENERS 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
EP-1926378-B1 STORAGE-STABLE FORMULATIONS OF SULFONAMIDES BAYER IP GMBH (DE) 2016-06-29 EP disclosed
WO-1999066795-A1 COMBINATION OF HERBICIDES AND SAFENERS AVENTIS CROPSCIENCE GMBH (DE) 1999-12-29 WO disclosed