SCHEMBL8890787

SCHEMBL8890787

CS(=O)(=O)c1cc(OC(F)(F)F)ccc1Cc1ccccc1C(=O)c1cnoc1C1CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.43
EPHX2 P34913 2/20 0.40
CNR2 P34972 4/20 0.37
TRPM8 Q7Z2W7 7/20 0.34
HPGDS O60760 1/20 0.34
CACNA1B Q00975 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CHRM1 P11229 1/20 0.33
HCRTR2 O43614 1/20 0.33
CFD P00746 1/20 0.33
KLK7 P49862 1/20 0.33

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
SCHEMBL8891898 0.86 DHODH (0.41) DHODHCNR2CACNA1B
SCHEMBL8890973 0.86 NAAA (0.32) DHODHCACNA1B
SCHEMBL8890477 0.86 NR3C1 (0.38) DHODHEPHX2CNR2
SCHEMBL8891108 0.85 NR3C1 (0.32) DHODHHCRTR2
SCHEMBL8890755 0.85 DHODH (0.44) DHODHEPHX2CNR2TRPM8CYP11B1
SCHEMBL8891351 0.84 EPHX2 (0.36) EPHX2
SCHEMBL8890320 0.84 DHODH (0.43) DHODHEPHX2CNR2TRPM8CYP11B1
SCHEMBL8891637 0.81 LMNA (0.34) DHODHCACNA1BHCRTR2
SCHEMBL8889685 0.79 CCNE1 (0.36) DHODHHCRTR2
SCHEMBL8889307 0.79 NR3C1 (0.35) DHODHEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997028136-A1 BENZOYLISOXAZOLES AND 2-CYANO-1,3-DIONE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-07 WO disclosed