SCHEMBL6995576

SCHEMBL6995576

CSc1ccc(C2=C(c3cc(F)ccc3F)C(=O)C(C)(C)O2)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.33
AR P10275 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
PDE3B Q13370 2/20 0.30
PDE3A Q14432 2/20 0.30
MALT1 Q9UDY8 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
SCHEMBL7002452 0.91 ALOX5AP (0.33) BRAFALOX5APFEN1PDE3BPDE3A
SCHEMBL6994325 0.90 BRAF (0.34) BRAFARALOX5APFEN1PDE3B
SCHEMBL6999522 0.88 PGR (0.33)
SCHEMBL6999842 0.87 BRAF (0.36) BRAFAR
SCHEMBL6997789 0.84 PTGS2 (0.34)
SCHEMBL6999756 0.83 PTGS2 (0.42) PDE3BPDE3A
SCHEMBL7002037 0.83 BRAF (0.35) BRAFPDE3BPDE3AMALT1
SCHEMBL6995210 0.82 BRAF (0.39) BRAF
SCHEMBL6999608 0.82 BRAF (0.41) BRAF
SCHEMBL7004400 0.81 PDE3B (0.36) BRAFALOX5APFEN1PDE3BPDE3A

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