SCHEMBL6997348

SCHEMBL6997348

CSc1ccc(C2=C(c3ccc([N+](=O)[O-])cc3)C(=O)C(C)(C)O2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.53
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PTGS2 P35354 4/20 0.39
PTGS1 P23219 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
NR2F2 P24468 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 1/20 0.38
ACHE P22303 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PSD A5PKW4 1/20 0.35
CDK2 P24941 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL6994402 0.83 PTGS2 (0.58) GSK3BMAPTALDH1A1PTGS2PTGS1
SCHEMBL7002310 0.82 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL6996257 0.81 GSK3B (0.38) GSK3BMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL6999809 0.81 PTGS2 (0.46) PTGS2PTGS1KDM4EMEN1KMT2A
SCHEMBL6995696 0.80 GSK3B (0.50) GSK3BALDH1A1PTGS2PTGS1HTT
SCHEMBL6997397 0.77 PTGS2 (0.38) MAPTALDH1A1PTGS2PTGS1SMN1; SMN2
SCHEMBL6996795 0.76 PTGS2 (0.39) GSK3BPTGS2PTGS1
SCHEMBL1420343 0.75 ACHE (0.43) MAPTALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL6995269 0.74 GSK3B (0.51) GSK3BPTGS2PTGS1PGR
SCHEMBL6997433 0.74 PTGS2 (0.46) GSK3BALDH1A1PTGS2PTGS1PGR

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