SCHEMBL6994920

SCHEMBL6994920

CSc1ccc(C2=C(c3cccc(Cl)c3)C(=O)C(C)(C)O2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PGR P06401 8/20 0.41
GSK3B P49841 3/20 0.38
GSK3A P49840 2/20 0.33
ESR2 Q92731 1/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
BRDT Q58F21 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
SCHEMBL6996483 0.89 PTGS2 (0.38) PGRPTGS1PTGS2
SCHEMBL6995349 0.89 PGR (0.40) PGRGSK3BESR2
SCHEMBL6998907 0.89 PGR (0.40) PGRGSK3BPTGS1PTGS2
SCHEMBL7002130 0.89 PTGS2 (0.42) PGRPTGS1PTGS2
SCHEMBL6995081 0.88 PGR (0.36) PGRGSK3BPTGS1PTGS2
SCHEMBL6997965 0.86 PGR (0.38) PGRPTGS1PTGS2
SCHEMBL6999681 0.86 PTGS2 (0.37) PGRPTGS1PTGS2
SCHEMBL6995269 0.84 GSK3B (0.51) PGRGSK3BESR2PTGS1PTGS2
SCHEMBL7001628 0.83 PGR (0.34) PGRPTGS1PTGS2
SCHEMBL7002303 0.82 PGR (0.35) PGRPTGS1PTGS2

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