SCHEMBL6994983

SCHEMBL6994983

CC(=O)c1cc(C2=C(c3ccc(S(N)(=O)=O)cc3)OC(C)(C)C2=O)ccc1F

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.44
PTGS2 P35354 11/20 0.42
PTGS1 P23219 7/20 0.42
CYP2D6 P10635 1/20 0.36
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35

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
SCHEMBL7003008 0.91 CHRNA7 (0.40) CHRNA7PTGS2PTGS1
SCHEMBL6994360 0.87 CHRNA7 (0.44) CHRNA7PTGS2PTGS1CYP2D6IKBKB
SCHEMBL6993821 0.86 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL7002679 0.86 CHRNA7 (0.40) CHRNA7PTGS2PTGS1
SCHEMBL6999485 0.85 CHRNA7 (0.44) CHRNA7PTGS2PTGS1CYP2D6
SCHEMBL7001692 0.84 KIF11 (0.39) CHRNA7PTGS2PTGS1CYP2D6
SCHEMBL7001624 0.83 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL6997787 0.82 PTGS2 (0.40) CHRNA7PTGS2PTGS1
SCHEMBL6994970 0.82 CA2 (0.46) PTGS2
SCHEMBL7000979 0.81 PTGS2 (0.48) PTGS2PTGS1

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