SCHEMBL7004400

SCHEMBL7004400

CSc1ccc(C2=C(c3ccc(F)cc3F)C(=O)C(C)(C)O2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 5/20 0.36
PDE3A Q14432 5/20 0.36
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
BRAF P15056 3/20 0.34
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
PTGS2 P35354 2/20 0.33
TDP2 O95551 1/20 0.33
MALT1 Q9UDY8 1/20 0.32
HSD11B1 P28845 4/20 0.31
HTR2A P28223 1/20 0.31
GRM2 Q14416 1/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 1/20 0.31
HSD3B2 P26439 1/20 0.31
CYP2C19 P33261 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
SCHEMBL6994325 0.91 BRAF (0.34) PDE3BPDE3AALOX5APFEN1BRAF
SCHEMBL7002918 0.90 BRAF (0.36) PDE3BPDE3ABRAFPGRNR3C2
SCHEMBL7002452 0.90 ALOX5AP (0.33) PDE3BPDE3AALOX5APFEN1BRAF
SCHEMBL6996425 0.88 PGR (0.34) PGRNR3C2PTGS2
SCHEMBL6998305 0.87 PGR (0.37) PDE3BPDE3AALOX5APFEN1BRAF
SCHEMBL6998059 0.84 PTGS2 (0.36) PDE3BPDE3APGRNR3C2PTGS2
SCHEMBL6999122 0.84 PTGS2 (0.43) PDE3BPDE3APGRPTGS2
SCHEMBL6998235 0.83 PTGS2 (0.38) PDE3BPDE3APGRNR3C2PTGS2
SCHEMBL7002491 0.82 PTGS2 (0.38) PDE3BPDE3APGRPTGS2
SCHEMBL6995787 0.82 PGR (0.39) BRAFPGRNR3C2PTGS2

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