SCHEMBL7000360

SCHEMBL7000360

CSc1ccc(C2=C(c3ccccc3)C(=O)C(C)(C)O2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.39
HK2 P52789 1/20 0.33
PTGS1 P23219 3/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
ALDH1A1 P00352 2/20 0.31
GSK3B P49841 1/20 0.31
KDM4E B2RXH2 1/20 0.31
KMT2A Q03164 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
BRD4 O60885 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL6996483 0.87 PTGS2 (0.38) PTGS2HK2PTGS1HDAC1HDAC8
SCHEMBL7002491 0.87 PTGS2 (0.38) PTGS2HK2PTGS1HDAC1HDAC8
SCHEMBL7001916 0.87 PTGS2 (0.38) PTGS2HK2PTGS1HDAC1HDAC8
SCHEMBL6993150 0.87 PTGS2 (0.43) PTGS2PTGS1PDE3BPDE3A
SCHEMBL6995774 0.85 PTGS2 (0.36) PTGS2PTGS1
SCHEMBL6994402 0.81 PTGS2 (0.58) PTGS2HK2PTGS1ALDH1A1GSK3B
SCHEMBL6996425 0.78 PGR (0.34) PTGS2PTGS1ALDH1A1
SCHEMBL6995081 0.78 PGR (0.36) PTGS2PTGS1ALDH1A1GSK3BKDM4E
SCHEMBL6999183 0.78 PTGS2 (0.42) PTGS2PTGS1ALDH1A1L3MBTL1
SCHEMBL7003223 0.77 PTGS2 (0.33) PTGS2HK2PTGS1PDE3BPDE3A

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-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