SCHEMBL6998059

SCHEMBL6998059

CSc1ccc(C2=C(c3cc(F)cc(F)c3)C(=O)C(C)(C)O2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.36
PGR P06401 6/20 0.33
PTGS1 P23219 2/20 0.31
NR3C1 P04150 1/20 0.31
NR3C2 P08235 1/20 0.31
AR P10275 1/20 0.31
PDE3B Q13370 1/20 0.30
PDE3A Q14432 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
SCHEMBL6996425 0.91 PGR (0.34) PTGS2PGRPTGS1NR3C1NR3C2
SCHEMBL6995774 0.90 PTGS2 (0.36) PTGS2PGRPTGS1NR3C1NR3C2
SCHEMBL6999122 0.89 PTGS2 (0.43) PTGS2PGRPTGS1PDE3BPDE3A
SCHEMBL6998235 0.89 PTGS2 (0.38) PTGS2PGRPTGS1NR3C1NR3C2
SCHEMBL6997789 0.88 PTGS2 (0.34) PTGS2PGRPTGS1
SCHEMBL7002303 0.88 PGR (0.35) PTGS2PGRPTGS1NR3C1NR3C2
SCHEMBL7002491 0.88 PTGS2 (0.38) PTGS2PGRPTGS1PDE3BPDE3A
SCHEMBL6995275 0.86 PDE3B (0.31) ARPDE3BPDE3A
SCHEMBL7001117 0.86 PGR (0.34) PTGS2PGRPTGS1NR3C1NR3C2
SCHEMBL6996821 0.85 PGR (0.37) PTGS2PGR

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