SCHEMBL8933862

SCHEMBL8933862

COc1cc2c(c(OC)c1OC)-c1c(c(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1)OC2

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.54
PTGS1 P23219 12/20 0.54

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
SCHEMBL8933854 0.81 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL8933928 0.78 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL8933968 0.77 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL8933831 0.77 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL8934014 0.76 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL8934192 0.75 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL8933966 0.74 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL8933905 0.73 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL6720435 0.71 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL6350037 0.70 PTGS2 (1.00) 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 2 patents. 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
WO-1996009304-A1 BENZOPYRANOPYRAZOLYL DERIVATIVES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-28 WO disclosed