SCHEMBL6997547

SCHEMBL6997547

CCC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(I)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.40
CA2 P00918 12/20 0.40
CA12 O43570 9/20 0.40
CA9 Q16790 8/20 0.40
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA1 P00915 9/20 0.38
CA7 P43166 2/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
CA13 Q8N1Q1 1/20 0.37
BRD4 O60885 1/20 0.36
CA14 Q9ULX7 2/20 0.36

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
SCHEMBL6996705 0.88 PTGS2 (0.49) PTGS2
SCHEMBL6995245 0.83 PTGS2 (0.44) PTGS2CA2CA12CA9KDM4E
SCHEMBL7002870 0.81 PTGS2 (0.51) PTGS2CA2CA12CA9CA1
SCHEMBL6993143 0.80 PTGS2 (0.52) PTGS2CA2CA12CA9CA1
SCHEMBL7002929 0.80 PTGS2 (0.47) PTGS2CA2CA12CA9CA1
SCHEMBL6999342 0.80 PTGS2 (0.31) PTGS2
SCHEMBL6994786 0.79 CA2 (0.45) PTGS2CA2CA12CA9CA1
SCHEMBL6999365 0.78 PTGS2 (0.41) PTGS2CA2CA12CA9CA1
SCHEMBL7001200 0.78 PTGS2 (0.43) PTGS2
SCHEMBL7002571 0.78 PTGS2 (0.39) PTGS2CA2CA12CA9KDM4E

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
CN-1166658-C 4,5 diaryl-3 (2H) -furanone derivatives as cyclooxygenase-2 inhibitors ��ʽ����̫ƽ�� 2004-09-15 CN disclosed
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
CN-1348447-A 4,5 diaryl-3 (2H) -furanone derivatives as cyclooxygenase-2 inhibitors PACIFIC CORP (KR) 2002-05-08 CN 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