SCHEMBL7000950

SCHEMBL7000950

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.45
PGR P06401 5/20 0.38
PTGS2 P35354 2/20 0.33
STK10 O94804 1/20 0.33
SLK Q9H2G2 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
CFTR P13569 1/20 0.32
GSK3A P49840 1/20 0.32
TDP2 O95551 1/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL6996726 0.90 PTGS2 (0.43) GSK3BPGRPTGS2STK10SLK
SCHEMBL7001438 0.89 PTGS2 (0.39) GSK3BPGRPTGS2STK10SLK
SCHEMBL6996397 0.89 GSK3B (0.43) GSK3BPGRPTGS2HSP90AA1HSP90AB1
SCHEMBL6995269 0.86 GSK3B (0.51) GSK3BPGRPTGS2STK10SLK
SCHEMBL6996854 0.83 KDM4E (0.33) GSK3BPGRPTGS2
SCHEMBL7002613 0.83 PGR (0.32) PGRPTGS2
SCHEMBL7001429 0.81 PTGS2 (0.48) PGRPTGS2
SCHEMBL6997186 0.81 PGR (0.37) GSK3BPGRPTGS2HSP90AA1HSP90AB1
SCHEMBL7001112 0.80 CA1 (0.43) PGRPTGS2CA12CA9
SCHEMBL6994747 0.79 BRAF (0.37) PGRPTGS2CA9

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