SCHEMBL6996257

SCHEMBL6996257

CSc1ccc(C2=C(c3ccc([N+](=O)[O-])cc3)C(=O)C(C)(C)O2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.38
HTT P42858 4/20 0.37
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 7/20 0.36
ALDH1A1 P00352 4/20 0.36
HIF1A Q16665 1/20 0.34
GAA P10253 1/20 0.34
TXNRD1 Q16881 1/20 0.33
TXNRD3 Q86VQ6 1/20 0.33
TXNRD2 Q9NNW7 1/20 0.33
CACNA1C Q13936 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PSD A5PKW4 1/20 0.32
ACHE P22303 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ADORA2A P29274 1/20 0.32

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
SCHEMBL6996425 0.87 PGR (0.34) ALDH1A1
SCHEMBL7002491 0.86 PTGS2 (0.38)
SCHEMBL7001117 0.85 PGR (0.34) GSK3BSMN1; SMN2ALDH1A1
SCHEMBL6995275 0.85 PDE3B (0.31)
SCHEMBL6998235 0.84 PTGS2 (0.38) ALDH1A1GAA
SCHEMBL6998059 0.83 PTGS2 (0.36)
SCHEMBL7002541 0.83 MAPT (0.34) MAPT
SCHEMBL6997078 0.81 PTGS2 (0.37) HTTLMNASMN1; SMN2GAAMEN1
SCHEMBL6997242 0.81 LMNA (0.37) GSK3BHTTLMNASMN1; SMN2MAPT
SCHEMBL6997348 0.81 GSK3B (0.53) GSK3BHTTLMNASMN1; SMN2MAPT

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