SCHEMBL6992544

SCHEMBL6992544

CC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2cc3ccccc3o2)C1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.62
CA1 P00915 10/20 0.62
CA9 Q16790 7/20 0.62
PTGES2 Q9H7Z7 2/20 0.45
CA12 O43570 8/20 0.43
CA7 P43166 4/20 0.43
CA4 P22748 3/20 0.43
CA5A P35218 3/20 0.43
CA5B Q9Y2D0 3/20 0.43
PTGS2 P35354 2/20 0.42
KDM4E B2RXH2 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
PTPRC P08575 1/20 0.40
PTPN1 P18031 1/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL7001498 0.90 CA1 (0.47) CA2CA1CA9PTGS2KDM4E
SCHEMBL6995958 0.81 CA2 (0.56) CA2CA1CA9CA12CA7
SCHEMBL7002002 0.80 PTGS2 (0.56) CA2CA1CA9CA12CA7
SCHEMBL27484127 0.79 P2RY14 (0.39) CA2CA1CA9PTGES2KDM4E
SCHEMBL7001366 0.78 KDM4E (0.41) CA2CA1CA9CA12PTGS2
SCHEMBL7002511 0.78 CA1 (0.44) CA2CA1CA9PTGS2KDM4E
SCHEMBL7001094 0.77 PTGS2 (0.39) PTGS2KDM4ENPSR1MEN1PKM
SCHEMBL6996908 0.77 CA1 (0.56) CA2CA1CA9CA12PTGS2
SCHEMBL6995154 0.77 CA2 (0.60) CA2CA1CA9CA12CA7
SCHEMBL6996057 0.77 KDM4E (0.43) CA2CA1CA9CA12PTGS2

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 7 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
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
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