SCHEMBL7002571

SCHEMBL7002571

CCC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2ccoc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.39
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA2 P00918 5/20 0.34
CA12 O43570 4/20 0.34
CA9 Q16790 4/20 0.34
PTGS1 P23219 2/20 0.34
CA1 P00915 3/20 0.33

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
SCHEMBL7000302 0.89 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL6993055 0.85 PTGS2 (0.42) PTGS2KDM4EMEN1PKMKMT2A
SCHEMBL7002870 0.84 PTGS2 (0.51) PTGS2CA2CA12CA9PTGS1
SCHEMBL7002929 0.83 PTGS2 (0.47) PTGS2CA2CA12CA9PTGS1
SCHEMBL6993143 0.83 PTGS2 (0.52) PTGS2CA2CA12CA9PTGS1
SCHEMBL6995611 0.83 PTGS2 (0.44) PTGS2KDM4EMEN1PKMKMT2A
SCHEMBL6994786 0.82 CA2 (0.45) PTGS2CA2CA12CA9CA1
SCHEMBL7001200 0.81 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL6999365 0.81 PTGS2 (0.41) PTGS2CA2CA12CA9PTGS1
SCHEMBL6997291 0.81 PTGS2 (0.37) PTGS2KDM4EMEN1PKMKMT2A

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 4 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