SCHEMBL7002452

SCHEMBL7002452

CSc1ccc(C2=C(c3ccc(F)cc3F)C(=O)C(C)(C)O2)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
BRAF P15056 2/20 0.33
PGR P06401 1/20 0.32
NR3C2 P08235 1/20 0.32
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
PTGS2 P35354 2/20 0.31
TDP2 O95551 1/20 0.31
MALT1 Q9UDY8 1/20 0.30
HSD11B1 P28845 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
SCHEMBL6995576 0.91 BRAF (0.33) ALOX5APFEN1BRAFPDE3BPDE3A
SCHEMBL7004400 0.90 PDE3B (0.36) ALOX5APFEN1BRAFPGRNR3C2
SCHEMBL6999522 0.88 PGR (0.33) PGRNR3C2PTGS2
SCHEMBL7002918 0.87 BRAF (0.36) BRAFPGRNR3C2PDE3BPDE3A
SCHEMBL6997789 0.84 PTGS2 (0.34) PGRPTGS2
SCHEMBL6999756 0.83 PTGS2 (0.42) PGRPDE3BPDE3APTGS2
SCHEMBL7002273 0.82 PTGS2 (0.39) ALOX5APFEN1BRAFPTGS2
SCHEMBL6997339 0.82 BRAF (0.41) ALOX5APFEN1BRAFPTGS2HSD11B1
SCHEMBL6994325 0.81 BRAF (0.34) ALOX5APFEN1BRAFPDE3BPDE3A
SCHEMBL6999988 0.81 BRAF (0.33) BRAFPGRNR3C2PDE3BPDE3A

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