SCHEMBL8551018

SCHEMBL8551018

COc1cc(OC)c(-c2ccc(S(C)(=O)=O)cc2)c(-c2coc(Cc3ccccc3)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.41
PTGS1 P23219 2/20 0.39
TP53 P04637 2/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36

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
SCHEMBL8551014 0.87 PTGS2 (0.41) PTGS2PTGS1TP53
SCHEMBL8551355 0.85 PTGS2 (0.50) PTGS2PTGS1S1PR1S1PR3
SCHEMBL8551144 0.85 ERN1 (0.42) PTGS2PTGS1TP53
SCHEMBL8548972 0.84 PTGS2 (0.42) PTGS2PTGS1TP53CA1CA2
SCHEMBL9098556 0.84 PTGS2 (0.38) PTGS2PTGS1TP53
SCHEMBL8549867 0.84 PTGS2 (0.38) PTGS2PTGS1TP53
SCHEMBL8551034 0.81 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL8551146 0.80 PTGS2 (0.40) PTGS2PTGS1TP53
SCHEMBL8548704 0.79 PTGS2 (0.43) PTGS2PTGS1TP53
SCHEMBL8547371 0.78 PTGS2 (0.47) 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