SCHEMBL6996397

SCHEMBL6996397

CSc1ccc(C2=C(c3cccc(Cl)c3)C(=O)C(C)(C)O2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.43
PGR P06401 4/20 0.37
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
BRAF P15056 3/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
PTGS2 P35354 2/20 0.31
PTGS1 P23219 1/20 0.31
CFTR P13569 1/20 0.31
TDP2 O95551 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL7000950 0.89 GSK3B (0.45) GSK3BPGRHSP90AA1HSP90AB1PTGS2
SCHEMBL6996567 0.89 PTGS2 (0.40) PGRAKR1C3AKR1C2PTGS2PTGS1
SCHEMBL6995715 0.88 PTGS2 (0.43) GSK3BAKR1C3AKR1C2PTGS2PTGS1
SCHEMBL6998165 0.86 PTGS2 (0.36) PGRAKR1C3AKR1C2PTGS2PTGS1
SCHEMBL7002103 0.85 AKR1C3 (0.38) PGRAKR1C3AKR1C2PTGS1
SCHEMBL6995269 0.84 GSK3B (0.51) GSK3BPGRAKR1C3AKR1C2PTGS2
SCHEMBL6999283 0.83 PTGS2 (0.33) PGRAKR1C3AKR1C2PTGS2PTGS1
SCHEMBL6997325 0.83 PTGS2 (0.36) PGRAKR1C3AKR1C2PTGS2PTGS1
SCHEMBL7001438 0.83 PTGS2 (0.39) GSK3BPGRBRAFPTGS2PTGS1
SCHEMBL6999736 0.82 STK10 (0.42) GSK3BPGRBRAFPTGS2PTGS1

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-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