SCHEMBL7002037

SCHEMBL7002037

CSc1ccc(C2=C(c3cc(F)ccc3F)C(=O)C(C)(C)O2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.35
PTGS2 P35354 7/20 0.34
PTGS1 P23219 5/20 0.34
PPARG P37231 2/20 0.34
EGFR P00533 1/20 0.33
CYP1A2 P05177 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
MAPT P10636 1/20 0.33
DRD1 P21728 1/20 0.33
MAPK1 P28482 1/20 0.33
OPRM1 P35372 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33

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 0.87 BRAF (0.35) BRAFPTGS2PTGS1PPARGEGFR
SCHEMBL6994325 0.86 BRAF (0.34) BRAFPDE3BPDE3AMALT1
SCHEMBL13430688 0.84 BRAF (0.34) BRAFPTGS2
SCHEMBL6994747 0.84 BRAF (0.37) BRAFPTGS2PTGS1PPARGEGFR
SCHEMBL6995576 0.83 BRAF (0.33) BRAFPDE3BPDE3AMALT1
SCHEMBL6999842 0.83 BRAF (0.36) BRAFPTGS2PTGS1
SCHEMBL6997397 0.82 PTGS2 (0.38) PTGS2PTGS1MAPT
SCHEMBL6998106 0.82 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL6997433 0.81 PTGS2 (0.46) PTGS2PTGS1MAPK14
SCHEMBL3234556 0.81 PTGS2 (0.47) BRAFPTGS2PTGS1

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 8 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-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2001-06-27 EP claimed
WO-2000061571-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2000-10-19 WO 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
EP-1109799-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2001-06-27 EP disclosed
WO-2000061571-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2000-10-19 WO disclosed