SCHEMBL6997590

SCHEMBL6997590

C[S+]([O-])c1ccc(C2=C(c3cccc(Cl)c3)C(=O)C(C)(C)O2)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PGR P06401 12/20 0.43
ESR2 Q92731 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
GSK3B P49841 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL6994777 0.86 PGR (0.40) PGRESR2ALDH1A1CYP1A2GSK3B
SCHEMBL6997186 0.86 PGR (0.37) PGRALDH1A1CYP1A2GSK3BPTGS2
SCHEMBL6997285 0.85 PTGS2 (0.47) PGRPTGS1PTGS2
SCHEMBL6997258 0.84 PTGS2 (0.37) ALDH1A1PTGS1PTGS2
SCHEMBL6993861 0.84 PGR (0.44) PGRPTGS1PTGS2
SCHEMBL6994790 0.84 PGR (0.36) PGRALDH1A1CYP1A2PTGS1PTGS2
SCHEMBL7001428 0.84 PGR (0.38) PGRESR2ALDH1A1CYP1A2
SCHEMBL7001576 0.84 PGR (0.38) PGRPTGS1PTGS2
SCHEMBL6999359 0.83 PGR (0.44) PGRPTGS1PTGS2
SCHEMBL7002333 0.83 PTGS2 (0.50) 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