SCHEMBL8933895

SCHEMBL8933895

Cc1ccc2c(c1)OCc1c(C(F)(F)F)nn(-c3ccc(S(N)(=O)=O)cc3)c1-2

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.75
PTGS1 P23219 14/20 0.75
PTGES O14684 1/20 0.49

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
SCHEMBL8934125 0.88 PTGS2 (0.75) PTGS2PTGS1
SCHEMBL8934029 0.88 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL6279437 0.86 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8933860 0.83 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL6339161 0.82 PTGS2 (0.74) PTGS2PTGS1PTGES
SCHEMBL8933876 0.81 PTGS2 (0.74) PTGS2PTGS1PTGES
SCHEMBL8933831 0.80 PTGS2 (0.67) PTGS2PTGS1PTGES
SCHEMBL8933767 0.79 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL6343720 0.79 PTGS2 (0.66) PTGS2PTGS1PTGES
SCHEMBL8933966 0.77 PTGS2 (0.66) PTGS2PTGS1

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-1996009304-A1 BENZOPYRANOPYRAZOLYL DERIVATIVES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-28 WO claimed