SCHEMBL6998907

SCHEMBL6998907

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PGR P06401 8/20 0.40
GSK3B P49841 1/20 0.37
BRAF P15056 1/20 0.34
PTGS2 P35354 3/20 0.33
PTGS1 P23219 2/20 0.33
NR3C1 P04150 1/20 0.32
NR3C2 P08235 1/20 0.32
AR P10275 1/20 0.32
BACE1 P56817 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
SCHEMBL6999122 0.89 PTGS2 (0.43) PGRPTGS2PTGS1
SCHEMBL6994920 0.89 PGR (0.41) PGRGSK3BPTGS2PTGS1
SCHEMBL7001117 0.89 PGR (0.34) PGRGSK3BBRAFPTGS2PTGS1
SCHEMBL6998235 0.88 PTGS2 (0.38) PGRPTGS2PTGS1NR3C1NR3C2
SCHEMBL7002491 0.87 PTGS2 (0.38) PGRPTGS2PTGS1
SCHEMBL6994557 0.87 PGR (0.40) PGRGSK3B
SCHEMBL6995349 0.87 PGR (0.40) PGRGSK3B
SCHEMBL6994230 0.86 PGR (0.36) PGRPTGS2PTGS1NR3C1NR3C2
SCHEMBL6994889 0.85 PGR (0.35) PGRPTGS1BACE1
SCHEMBL6994167 0.85 PGR (0.42) PGRGSK3BPTGS1

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-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