SCHEMBL6994747

SCHEMBL6994747

CSc1ccc(C2=C(c3cc(F)ccc3F)C(=O)C(C)(C)O2)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 11/20 0.37
MALT1 Q9UDY8 1/20 0.33
MAPT P10636 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
EGFR P00533 1/20 0.31
CYP1A2 P05177 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
DRD1 P21728 1/20 0.31
PTGS1 P23219 1/20 0.31
MAPK1 P28482 1/20 0.31
PTGS2 P35354 1/20 0.31
OPRM1 P35372 1/20 0.31
PPARG P37231 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
CYSLTR1 Q9Y271 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
SCHEMBL7000841 0.90 BRAF (0.35) BRAFMALT1MAPTTDP1EGFR
SCHEMBL6996854 0.86 KDM4E (0.33) BRAFMAPTTDP1PTGS1PTGS2
SCHEMBL7002613 0.84 PGR (0.32) PTGS2PGR
SCHEMBL7002037 0.84 BRAF (0.35) BRAFMALT1MAPTTDP1EGFR
SCHEMBL7001438 0.83 PTGS2 (0.39) BRAFPTGS1PTGS2PGR
SCHEMBL7000928 0.82 BRAF (0.35) BRAFMALT1MAPTTDP1EGFR
SCHEMBL6996610 0.81 BRAF (0.38) BRAFMALT1CA1CA2CA7
SCHEMBL6994838 0.81 PTGS2 (0.41) BRAFPTGS1PTGS2
SCHEMBL7002269 0.81 BRAF (0.41) BRAFPTGS1PTGS2CA1CA2
SCHEMBL6996726 0.79 PTGS2 (0.43) MAPTTDP1PTGS1MAPK1PTGS2

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