SCHEMBL6994777

SCHEMBL6994777

C[S+]([O-])c1ccc(C2=C(c3cccc(Cl)c3)C(=O)C(C)(C)O2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PGR P06401 8/20 0.40
PTGS2 P35354 4/20 0.33
PTGS1 P23219 3/20 0.33
GSK3B P49841 3/20 0.32
GSK3A P49840 2/20 0.32
ESR2 Q92731 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
BRDT Q58F21 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
SCHEMBL6992989 0.90 PTGS2 (0.32) PGRPTGS2PTGS1
SCHEMBL6992436 0.89 PTGS2 (0.43) PGRPTGS2PTGS1
SCHEMBL7001428 0.89 PGR (0.38) PGRESR2ALDH1A1CYP1A2
SCHEMBL7001576 0.89 PGR (0.38) PGRPTGS2PTGS1
SCHEMBL7001623 0.89 PGR (0.34) PGRPTGS2PTGS1
SCHEMBL6995643 0.87 PTGS2 (0.37) PGRPTGS2PTGS1
SCHEMBL6994703 0.86 PTGES (0.34) PGRPTGS1CYP1A2
SCHEMBL6997590 0.86 PGR (0.43) PGRPTGS2PTGS1GSK3BESR2
SCHEMBL7003571 0.84 PTGS2 (0.33) PGRPTGS2PTGS1
SCHEMBL6994340 0.83 PTGS2 (0.35) PGRPTGS2PTGS1

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 4 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