SCHEMBL6995103

SCHEMBL6995103

CCC1(C)OC(c2ccc(S(C)(=O)=O)cc2)=C(c2cc(OC)cc(OC)c2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.45
PTGS1 P23219 9/20 0.39
XDH P47989 1/20 0.38

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
SCHEMBL7000686 0.91 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL6995070 0.90 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL6997361 0.88 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL7002129 0.87 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL6996026 0.85 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL6995460 0.84 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL7003062 0.84 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL6999875 0.83 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL7002570 0.83 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL7002388 0.82 PTGS2 (0.45) 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 4 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
US-6492416-B1 TREATING INFLAMMATION AND ASSOCIATED DISORDERS PACIFIC CORPORATION (KR) 2002-12-10 US 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