SCHEMBL6558596

SCHEMBL6558596

CSCc1cc(Br)ccc1C(=O)c1cnoc1C1CC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.34
PDE2A O00408 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.31
S100A4 P26447 1/20 0.31
NAMPT P43490 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
CASP1 P29466 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL7574237 0.89 DHODH (0.33) DHODHPDE2APOLBMAPK1
SCHEMBL7573022 0.88 DHODH (0.32) DHODHPDE2APOLB
SCHEMBL7573788 0.88 DHODH (0.34) DHODHPDE2APOLB
SCHEMBL7574312 0.87 DHODH (0.32) DHODHPDE2APOLBMAPK1
SCHEMBL7576529 0.86 HPGD (0.34) DHODHPDE2AS100A4NAMPTHPGD
SCHEMBL7573639 0.86 PTGDR2 (0.35) DHODHPDE2AS100A4NAMPTCYP2C9
SCHEMBL7573992 0.86 DHODH (0.36) DHODHPDE2AS100A4HPGD
SCHEMBL9116177 0.86 DHODH (0.31) DHODHPDE2A
SCHEMBL7575637 0.86 DHODH (0.39) DHODHPOLB
SCHEMBL9116675 0.85 DHODH (0.31) DHODHMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0609798-B1 4-Benzoyl isoxazoles and their use as herbicides AVENTIS AGRICULTURE LTD (GB) 2002-10-02 EP claimed
EP-0609798-A1 4-Benzoyl isoxazoles and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-08-10 EP claimed
EP-1032267-B1 METHOD OF CONTROLLING WEEDS IN TRANSGENIC CROPS BAYER CROPSCIENCE SA (FR) 2004-03-10 EP disclosed
EP-0609798-B1 4-Benzoyl isoxazoles and their use as herbicides AVENTIS AGRICULTURE LTD (GB) 2002-10-02 EP disclosed
US-5374606-A Pre- and postemergence RHONE-POULENC AGRICULTURE LIMITED (GB) 1994-12-20 US disclosed
EP-0609798-A1 4-Benzoyl isoxazoles and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-08-10 EP disclosed