SCHEMBL6999843

SCHEMBL6999843

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 12/20 0.42
CA2 P00918 12/20 0.42
CA9 Q16790 10/20 0.42
CA12 O43570 10/20 0.42
PTGS2 P35354 3/20 0.40
CA14 Q9ULX7 8/20 0.39
CA7 P43166 2/20 0.38
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37
CA4 P22748 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 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
SCHEMBL7001587 0.90 PTGS2 (0.43) PTGS2
SCHEMBL7002870 0.86 PTGS2 (0.51) CA1CA2CA9CA12PTGS2
SCHEMBL6994970 0.86 CA2 (0.46) CA1CA2CA9CA12PTGS2
SCHEMBL7002929 0.85 PTGS2 (0.47) CA1CA2CA9CA12PTGS2
SCHEMBL6993143 0.85 PTGS2 (0.52) CA1CA2CA9CA12PTGS2
SCHEMBL6994786 0.84 CA2 (0.45) CA1CA2CA9CA12PTGS2
SCHEMBL6999364 0.83 CHRNA7 (0.41) PTGS2
SCHEMBL7003249 0.83 CHRNA7 (0.38) PTGS2
SCHEMBL6995288 0.82 KIF11 (0.51) CA1CA2CA9CA12PTGS2
SCHEMBL6999365 0.81 PTGS2 (0.41) CA1CA2CA9CA12PTGS2

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 10 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
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