SCHEMBL8549867

SCHEMBL8549867

COc1ccc(-c2coc(Cc3ccccc3)n2)c(-c2ccc(S(C)(=O)=O)cc2)c1OC

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.38
PTGS1 P23219 3/20 0.38
TP53 P04637 1/20 0.37
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL9098556 0.92 PTGS2 (0.38) PTGS2PTGS1TP53ITGB1ITGA4
SCHEMBL8551146 0.89 PTGS2 (0.40) PTGS2PTGS1TP53
SCHEMBL8548972 0.85 PTGS2 (0.42) PTGS2PTGS1TP53
SCHEMBL8548704 0.84 PTGS2 (0.43) PTGS2PTGS1TP53
SCHEMBL8551014 0.84 PTGS2 (0.41) PTGS2PTGS1TP53ITGB1ITGA4
SCHEMBL8551018 0.84 PTGS2 (0.41) PTGS2PTGS1TP53
SCHEMBL8546636 0.82 PTGS2 (0.40) PTGS2PTGS1TP53
SCHEMBL8551144 0.82 ERN1 (0.42) PTGS2PTGS1TP53
SCHEMBL8551355 0.80 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL8551034 0.77 PTGS2 (0.42) 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
EP-0825989-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-03-04 EP disclosed