SCHEMBL7002918

SCHEMBL7002918

CSc1ccc(C2=C(c3ccc(F)cc3F)C(=O)C(C)(C)O2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.36
PGR P06401 2/20 0.34
NR3C2 P08235 2/20 0.34
NR3C1 P04150 1/20 0.34
AR P10275 1/20 0.34
PDE3B Q13370 3/20 0.33
PDE3A Q14432 3/20 0.33
PTGS2 P35354 2/20 0.32
HTR2A P28223 1/20 0.32
GRM2 Q14416 1/20 0.32
HSD11B1 P28845 3/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 1/20 0.32
HSD3B2 P26439 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP2 O95551 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
SCHEMBL6999842 0.91 BRAF (0.36) BRAFPGRNR3C2NR3C1AR
SCHEMBL7004400 0.90 PDE3B (0.36) BRAFPGRNR3C2PDE3BPDE3A
SCHEMBL7001628 0.88 PGR (0.34) BRAFPGRNR3C2NR3C1AR
SCHEMBL7002452 0.87 ALOX5AP (0.33) BRAFPGRNR3C2PDE3BPDE3A
SCHEMBL7002303 0.84 PGR (0.35) PGRNR3C2NR3C1ARPTGS2
SCHEMBL7002130 0.83 PTGS2 (0.42) BRAFPGRNR3C2NR3C1AR
SCHEMBL6997965 0.83 PGR (0.38) BRAFPGRNR3C2NR3C1AR
SCHEMBL6999308 0.82 BRAF (0.42) BRAFPTGS2
SCHEMBL6994325 0.81 BRAF (0.34) BRAFARPDE3BPDE3A
SCHEMBL7001230 0.81 BRAF (0.44) BRAFPDE3BPDE3APTGS2HSD11B1

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