SCHEMBL8890320

SCHEMBL8890320

C[S+]([O-])c1cc(OC(F)(F)F)ccc1Cc1ccccc1C(=O)c1cnoc1C1CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.43
EPHX2 P34913 2/20 0.41
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
TRPM8 Q7Z2W7 7/20 0.33
NR1H4 Q96RI1 3/20 0.33
HSD17B13 Q7Z5P4 1/20 0.33
CHRM1 P11229 1/20 0.32
CFD P00746 1/20 0.32
KLK7 P49862 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL8890261 0.87 DHODH (0.33) DHODHEPHX2CYP3A4CYP2D6CYP2C9
SCHEMBL8891989 0.86 DHODH (0.41) DHODHEPHX2CYP3A4CYP2C9CYP2C19
SCHEMBL8899416 0.86 DHODH (0.32) DHODHEPHX2
SCHEMBL8890755 0.85 DHODH (0.44) DHODHEPHX2CYP11B1CYP11B2TRPM8
SCHEMBL8892498 0.84 PTGDR2 (0.33) DHODH
SCHEMBL8890787 0.84 DHODH (0.43) DHODHEPHX2CYP11B1CYP11B2TRPM8
SCHEMBL8891280 0.81 CYP19A1 (0.33) DHODH
SCHEMBL9116698 0.81 DHODH (0.48) DHODHEPHX2TRPM8NR1H4HSD17B13
SCHEMBL8891112 0.81 TAS1R3 (0.35) DHODHCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8891528 0.80 PTGDR2 (0.36) 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