SCHEMBL6997242

SCHEMBL6997242

C[S+]([O-])c1ccc(C2=C(c3ccc([N+](=O)[O-])cc3)C(=O)C(C)(C)O2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HIF1A Q16665 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
MAPT P10636 3/20 0.32
PSD A5PKW4 1/20 0.32
ACHE P22303 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GSK3B P49841 2/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
MMP2 P08253 2/20 0.31
MMP9 P14780 2/20 0.31
MMP8 P22894 2/20 0.31
MMP13 P45452 2/20 0.31
GSK3A P49840 1/20 0.30

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
SCHEMBL6995493 0.89 PTGS2 (0.34) ALDH1A1MEN1KMT2A
SCHEMBL6997346 0.87 PTGS2 (0.32)
SCHEMBL6995754 0.86 PGR (0.33)
SCHEMBL6994607 0.86 PDE3B (0.30)
SCHEMBL6997310 0.86 PTGS2 (0.39)
SCHEMBL6997543 0.85 PTGS2 (0.37)
SCHEMBL6998749 0.84 TP53 (0.33) MAPT
SCHEMBL6997078 0.82 PTGS2 (0.37) LMNAHTTSMN1; SMN2GAAPSD
SCHEMBL6999940 0.82 PTGS2 (0.36)
SCHEMBL6996081 0.82 PTGS2 (0.44)

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 6 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