SCHEMBL6994402

SCHEMBL6994402

CSc1ccc(C2=C(c3ccccc3)C(=O)C(C)(C)O2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.58
GSK3B P49841 2/20 0.45
PTGS1 P23219 7/20 0.42
GAA P10253 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 1/20 0.36
HK2 P52789 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
SCHEMBL6995696 0.85 GSK3B (0.50) PTGS2GSK3BPTGS1GAAKDM4E
SCHEMBL6997433 0.84 PTGS2 (0.46) PTGS2GSK3BPTGS1ALDH1A1
SCHEMBL6995269 0.84 GSK3B (0.51) PTGS2GSK3BPTGS1
SCHEMBL6997348 0.83 GSK3B (0.53) PTGS2GSK3BPTGS1GAARAB9A
SCHEMBL7002310 0.83 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL6999809 0.82 PTGS2 (0.46) PTGS2PTGS1KDM4EMEN1KMT2A
SCHEMBL6997397 0.82 PTGS2 (0.38) PTGS2PTGS1GAARAB9AKDM4E
SCHEMBL27466572 0.81 PTGS2 (0.38) PTGS2GSK3BPTGS1ALDH1A1
SCHEMBL6997650 0.81 PTGS2 (0.38) PTGS2GSK3BPTGS1
SCHEMBL6996795 0.81 PTGS2 (0.39) PTGS2GSK3BPTGS1

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