SCHEMBL7001183

SCHEMBL7001183

CCC1(C)OC(c2ccc(S(C)(=O)=O)cc2)=C(c2ccc(OC)nc2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.46
PTGS2 P35354 15/20 0.45
PTGS1 P23219 9/20 0.44
OXTR P30559 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL7000690 0.87 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL6997655 0.87 PTGS2 (0.50) KCNH2PTGS2PTGS1OXTRCA1
SCHEMBL7000686 0.83 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL6995103 0.81 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL7001187 0.81 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL6993939 0.81 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL6997519 0.81 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL6996026 0.81 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL6997361 0.81 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL6999875 0.81 PTGS2 (0.48) 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 6 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
EP-1109799-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2001-06-27 EP disclosed
WO-2000061571-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2000-10-19 WO disclosed