SCHEMBL167559

SCHEMBL167559

O=C(O)OC1=NOC(c2ccccc2)(c2ccccc2)C1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HDAC4 P56524 2/20 0.31
CHRM2 P08172 3/20 0.31
CHRM4 P08173 3/20 0.31
CHRM5 P08912 3/20 0.31
CHRM1 P11229 3/20 0.31
CHRM3 P20309 3/20 0.31
LDHA P00338 1/20 0.31
LDHB P07195 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
F2 P00734 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL6578687 0.86 HSD17B10 (0.39) KDM4EMEN1KMT2A
SCHEMBL27584656 0.85 OPRM1 (0.40) GAAKMT2ANPC1RAB9ACHRM2
SCHEMBL2469272 0.84 OPRM1 (0.40) GAAKDM4EMEN1KMT2A
SCHEMBL28211759 0.83 KMT2A (0.35) GAAKDM4EMEN1KMT2APTGDR2
SCHEMBL26107800 0.79
SCHEMBL135288 0.76 AKR1C1 (0.35) AKR1C1HDAC9MEN1KMT2ANPC1
SCHEMBL29498824 0.73 LDHA (0.36) AKR1C1HDAC9MEN1KMT2ANPC1
SCHEMBL28574647 0.73 POLB (0.35) AKR1C1HDAC9MEN1KMT2ANPC1
SCHEMBL7167294 0.73 MAPT (0.45) GAAKDM4EMEN1KMT2ARAB9A
Isopropylamine SCHEMBL28970090 0.72 ALDH1A1 (0.34) GAAKDM4EMEN1KMT2ACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651039-B1 OIL SUSPENSION CONCENTRATE CONTAINING DIFLUFENICAN BAYER IP GMBH (DE) 2017-01-04 EP claimed
EP-1571908-B1 OIL SUSPENSION CONCENTRATE BAYER CROPSCIENCE AG (DE) 2014-12-17 EP claimed
JP-4810228-B2 2011-11-09 JP claimed
EP-1898705-B1 OIL SUSPENSION CONCENTRATE BAYER CROPSCIENCE AG (DE) 2009-10-14 EP claimed
EP-1898705-A1 OIL SUSPENSION CONCENTRATE Bayer CropScience AG (DE) 2008-03-19 EP claimed
EP-1890542-A1 HERBICIDES BAYER CROPSCIENCE AG (DE) 2008-02-27 EP claimed
EP-1651044-B1 LIQUID FORMULATION BAYER CROPSCIENCE AG (DE) 2008-01-02 EP claimed
EP-1365649-B1 HERBICIDE-SAFENER COMBINATION BASED ON ISOXOZOLINE CARBOXYLATE SAFENERS BAYER CROPSCIENCE GMBH (DE) 2007-03-21 EP claimed
JP-2007500144-A 2007-01-11 JP claimed
WO-2006131187-A1 OIL SUSPENSION CONCENTRATE BAYER CROPSCIENCE AG (DE) 2006-12-14 WO claimed
EP-1689236-A1 CONCENTRATED OILY SUSPENSION Bayer CropScience GmbH (DE) 2006-08-16 EP claimed
EP-1651044-A1 LIQUID FORMULATION Bayer CropScience GmbH (DE) 2006-05-03 EP claimed
EP-1651039-A1 OIL SUSPENSION CONCENTRATE CONTAINING DIFLUFENICAN Bayer CropScience GmbH (DE) 2006-05-03 EP claimed
EP-1213966-B1 NEW HERBICIDAL COMPOSITIONS BAYER CROPSCIENCE LTD (GB) 2006-04-19 EP claimed
EP-1571908-A1 OIL SUSPENSION CONCENTRATE Bayer CropScience GmbH (DE) 2005-09-14 EP claimed
WO-2005051082-A1 CONCENTRATED OILY SUSPENSION BAYER CROPSCIENCE GMBH (DE) 2005-06-09 WO claimed
WO-2005011382-A1 LIQUID FORMULATION BAYER CROPSCIENCE GMBH (DE) 2005-02-10 WO claimed
WO-2005011378-A1 OIL SUSPENSION CONCENTRATE CONTAINING DIFLUFENICAN BAYER CROPSCIENCE GMBH (DE) 2005-02-10 WO claimed
WO-2004054364-A1 OIL SUSPENSION CONCENTRATE BAYER CROPSCIENCE GMBH (DE) 2004-07-01 WO claimed
WO-2001043546-A2 COMBINATIONS OF HERBICIDAL ALKYLAZINES AND SAFENERS AVENTIS CROPSCIENCE GMBH (DE) 2001-06-21 WO claimed