SCHEMBL6997318

SCHEMBL6997318

CC(=O)c1ccc(C2=C(c3ccc(S(C)(=O)=O)cc3)OC3(CCCC3)C2=O)cc1F

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.43
PTGS1 P23219 8/20 0.41

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
SCHEMBL7000173 0.88 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL6997079 0.83 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL6996531 0.82 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL7001390 0.82 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL7000333 0.82 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL6994935 0.82 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL7003888 0.81 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL6994592 0.81 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL6999543 0.78 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL7828866 0.78 PTGS2 (0.46) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1109799-B1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-12-17 EP claimed
EP-1109799-B1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-12-17 EP disclosed
US-6492416-B1 TREATING INFLAMMATION AND ASSOCIATED DISORDERS PACIFIC CORPORATION (KR) 2002-12-10 US disclosed