SCHEMBL7002303

SCHEMBL7002303

CSc1ccc(C2=C(c3cc(F)cc(F)c3)C(=O)C(C)(C)O2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PGR P06401 9/20 0.35
PTGS2 P35354 5/20 0.34
NR3C1 P04150 1/20 0.34
NR3C2 P08235 1/20 0.34
AR P10275 1/20 0.34
PTGS1 P23219 3/20 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
SCHEMBL7001628 0.92 PGR (0.34) PGRPTGS2NR3C1NR3C2AR
SCHEMBL7002130 0.90 PTGS2 (0.42) PGRPTGS2NR3C1NR3C2AR
SCHEMBL6998059 0.88 PTGS2 (0.36) PGRPTGS2NR3C1NR3C2AR
SCHEMBL6995774 0.88 PTGS2 (0.36) PGRPTGS2NR3C1NR3C2AR
SCHEMBL6997965 0.87 PGR (0.38) PGRPTGS2NR3C1NR3C2AR
SCHEMBL6995081 0.86 PGR (0.36) PGRPTGS2NR3C1NR3C2AR
SCHEMBL6997789 0.86 PTGS2 (0.34) PGRPTGS2PTGS1
SCHEMBL6996483 0.85 PTGS2 (0.38) PGRPTGS2NR3C1NR3C2AR
SCHEMBL7002918 0.84 BRAF (0.36) PGRPTGS2NR3C1NR3C2AR
SCHEMBL6999842 0.84 BRAF (0.36) PGRPTGS2NR3C1NR3C2AR

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