SCHEMBL7002541

SCHEMBL7002541

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
TP53 P04637 2/20 0.34
STK17B O94768 1/20 0.32
AR P10275 1/20 0.32
KIF11 P52732 3/20 0.32
APP P05067 1/20 0.31
BACE1 P56817 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 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
SCHEMBL6994889 0.89 PGR (0.35) BACE1
SCHEMBL6996425 0.88 PGR (0.34)
SCHEMBL7002491 0.87 PTGS2 (0.38) STK17B
SCHEMBL6995275 0.86 PDE3B (0.31) AR
SCHEMBL7001117 0.86 PGR (0.34) AR
SCHEMBL6998235 0.85 PTGS2 (0.38) AR
SCHEMBL6998059 0.84 PTGS2 (0.36) AR
SCHEMBL6996257 0.83 GSK3B (0.38) MAPT
SCHEMBL6998821 0.82 STK10 (0.42) AR
SCHEMBL6994230 0.81 PGR (0.36) ARAPP

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