SCHEMBL6996425

SCHEMBL6996425

CSc1ccc(C2=C(c3ccc(F)cc3)C(=O)C(C)(C)O2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.34
NR3C2 P08235 3/20 0.34
NR3C1 P04150 2/20 0.34
PTGS2 P35354 5/20 0.33
PTGS1 P23219 5/20 0.33
TNKS2 Q9H2K2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL6998059 0.91 PTGS2 (0.36) PGRNR3C2NR3C1PTGS2PTGS1
SCHEMBL7002491 0.91 PTGS2 (0.38) PGRPTGS2PTGS1
SCHEMBL6995275 0.90 PDE3B (0.31)
SCHEMBL7001117 0.90 PGR (0.34) PGRNR3C2NR3C1PTGS2PTGS1
SCHEMBL6998235 0.90 PTGS2 (0.38) PGRNR3C2NR3C1PTGS2PTGS1
SCHEMBL6999122 0.88 PTGS2 (0.43) PGRPTGS2PTGS1TNKS2
SCHEMBL7004400 0.88 PDE3B (0.36) PGRNR3C2PTGS2
SCHEMBL6994325 0.88 BRAF (0.34)
SCHEMBL7002541 0.88 MAPT (0.34)
SCHEMBL7001628 0.88 PGR (0.34) PGRNR3C2NR3C1PTGS2PTGS1

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