SCHEMBL6994557

SCHEMBL6994557

CSc1ccc(C2=C(c3cccc(Cl)c3)C(=S)C(C)(C)O2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PGR P06401 13/20 0.40
GSK3B P49841 1/20 0.35
ESR2 Q92731 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 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
SCHEMBL6998907 0.87 PGR (0.40) PGRGSK3B
SCHEMBL6996821 0.82 PGR (0.37) PGR
SCHEMBL6993421 0.81 PGR (0.38) PGRESR2ALDH1A1CYP1A2
SCHEMBL6995368 0.81 PGR (0.38) PGR
SCHEMBL6994710 0.80 PGR (0.38) PGRESR2
SCHEMBL6994920 0.75 PGR (0.41) PGRGSK3BESR2
SCHEMBL6999122 0.75 PTGS2 (0.43) PGR
SCHEMBL7001117 0.74 PGR (0.34) PGRGSK3BALDH1A1
SCHEMBL6998235 0.74 PTGS2 (0.38) PGRALDH1A1CYP1A2
SCHEMBL6995349 0.73 PGR (0.40) PGRGSK3BESR2

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-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