SCHEMBL7511340

SCHEMBL7511340

CCC1(CC)OC(=O)C(Sc2ccccc2)=C1c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.72
PTGS1 P23219 8/20 0.72

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
SCHEMBL5204904 0.84 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7491749 0.81 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL8077136 0.80 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL5208687 0.80 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL7482159 0.80 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL5208760 0.73 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL8098676 0.72 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL5204814 0.70 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL5204886 0.69 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL7001779 0.68 PTGS2 (0.54) 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-0863891-B1 (METHYLSULFONYL)PHENYL-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC (CA) 2002-12-11 EP disclosed