SCHEMBL6997650

SCHEMBL6997650

CSc1ccc(C2=C(c3cccc(C(F)(F)F)c3)C(=O)C(C)(C)O2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.38
PGR P06401 1/20 0.38
NOTUM Q6P988 1/20 0.36
CTSD P07339 1/20 0.35
BACE1 P56817 1/20 0.35
BRD4 O60885 1/20 0.35
HCAR3 P49019 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
GSK3B P49841 2/20 0.34
KDM1A O60341 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
PTGS1 P23219 1/20 0.34

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
SCHEMBL7002103 0.86 AKR1C3 (0.38) PGRNOTUMCTSDBACE1BRD4
SCHEMBL6994889 0.84 PGR (0.35) PGRNOTUMCTSDBACE1BRD4
SCHEMBL6997433 0.84 PTGS2 (0.46) PTGS2PGRGSK3BPTGS1
SCHEMBL6999681 0.84 PTGS2 (0.37) PTGS2PGRNOTUMCTSDBACE1
SCHEMBL6996469 0.83 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL7003700 0.83 PGR (0.37) PTGS2PGRNOTUMCTSDBACE1
SCHEMBL6995269 0.82 GSK3B (0.51) PTGS2PGRGSK3BPTGS1
SCHEMBL6996080 0.82 KIF11 (0.44) PTGS2CA12CA9PTGS1
SCHEMBL6994402 0.81 PTGS2 (0.58) PTGS2GSK3BPTGS1
SCHEMBL27467955 0.81 MAOB (0.38) PGRNOTUMCTSDBACE1

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 8 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-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2001-06-27 EP claimed
WO-2000061571-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2000-10-19 WO 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