SCHEMBL7002074

SCHEMBL7002074

CC1(C)OC(c2ccc(S(C)(=O)=O)cc2)=C(c2ccccc2-c2cccc(F)c2)C1=O

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.59
PTGS1 P23219 7/20 0.59

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
SCHEMBL7003099 0.90 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL7681706 0.88 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL7002421 0.84 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL7002621 0.82 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL7002902 0.82 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL6995630 0.82 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL6998106 0.82 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL7001757 0.81 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL6995425 0.81 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL6995448 0.80 PTGS2 (0.59) 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 2 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 disclosed
US-6492416-B1 TREATING INFLAMMATION AND ASSOCIATED DISORDERS PACIFIC CORPORATION (KR) 2002-12-10 US disclosed