SCHEMBL8548972

SCHEMBL8548972

COc1cc(-c2ccc(S(C)(=O)=O)cc2)ccc1-c1coc(Cc2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.42
PTGS1 P23219 2/20 0.42
ERN1 O75460 1/20 0.39
FYN P06241 2/20 0.39
TP53 P04637 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
SCN9A Q15858 1/20 0.38

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
SCHEMBL8551144 0.89 ERN1 (0.42) PTGS2PTGS1ERN1FYNTP53
SCHEMBL8551014 0.87 PTGS2 (0.41) PTGS2PTGS1TP53
SCHEMBL8549867 0.85 PTGS2 (0.38) PTGS2PTGS1TP53
SCHEMBL9098556 0.85 PTGS2 (0.38) PTGS2PTGS1FYNTP53
SCHEMBL8551355 0.85 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL8551018 0.84 PTGS2 (0.41) PTGS2PTGS1TP53CA1CA2
SCHEMBL8551146 0.83 PTGS2 (0.40) PTGS2PTGS1FYNTP53
SCHEMBL8548704 0.82 PTGS2 (0.43) PTGS2PTGS1TP53
SCHEMBL8552225 0.81 PTGS2 (0.46) PTGS2PTGS1TP53
SCHEMBL8546693 0.81 PTGS2 (0.46) PTGS2PTGS1TP53

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
EP-0825989-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-03-04 EP disclosed