SCHEMBL8551146

SCHEMBL8551146

COc1ccc(-c2ccc(S(C)(=O)=O)cc2)c(OC)c1-c1coc(Cc2ccccc2)n1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.40
PTGS1 P23219 2/20 0.40
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
FYN P06241 1/20 0.37
TP53 P04637 1/20 0.37

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) PTGS2PTGS1FYNTP53
SCHEMBL8549867 0.89 PTGS2 (0.38) PTGS2PTGS1TP53
SCHEMBL8548704 0.86 PTGS2 (0.43) PTGS2PTGS1TP53
SCHEMBL8551144 0.84 ERN1 (0.42) PTGS2PTGS1FYNTP53
SCHEMBL8548972 0.83 PTGS2 (0.42) PTGS2PTGS1FYNTP53
SCHEMBL8551014 0.82 PTGS2 (0.41) PTGS2PTGS1TP53
SCHEMBL8551355 0.80 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL8551018 0.80 PTGS2 (0.41) PTGS2PTGS1TP53
SCHEMBL8550177 0.79 PTGS2 (0.42) PTGS2PTGS1TP53
SCHEMBL8552226 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