SCHEMBL6993155

SCHEMBL6993155

CCC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2cnn(C)c2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.41
PTGS2 P35354 6/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
CCNT1 O60563 2/20 0.39
CCNB2 O95067 2/20 0.39
CCNE2 O96020 2/20 0.39
CDK1 P06493 2/20 0.39
CCNB1 P14635 2/20 0.39
CCNE1 P24864 2/20 0.39
CDK2 P24941 2/20 0.39
CDK9 P50750 2/20 0.39
CDK5 Q00535 2/20 0.39
CDK5R1 Q15078 2/20 0.39
CCNB3 Q8WWL7 2/20 0.39
EP300 Q09472 3/20 0.36
LOX P28300 2/20 0.35
LOXL2 Q9Y4K0 2/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35

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
SCHEMBL6996360 0.90 PTGS2 (0.41) PTGS2CCNT1CCNB2CCNE2CDK1
SCHEMBL7000766 0.88 PTGS2 (0.38) PTGS2CA12CA1CA2CA9
SCHEMBL6997404 0.87 PTGS2 (0.44) FYNPTGS2CCNCCDK8CCNT1
SCHEMBL6999187 0.87 PTGS2 (0.36) PTGS2CA12CA1CA2CA9
SCHEMBL6994981 0.84 PTGS2 (0.39) PTGS2CA12CA1CA2CA9
SCHEMBL6994786 0.81 CA2 (0.45) PTGS2CA12CA1CA2CA9
SCHEMBL7002870 0.81 PTGS2 (0.51) PTGS2CA12CA1CA2CA9
SCHEMBL7002929 0.80 PTGS2 (0.47) PTGS2CA12CA1CA2CA9
SCHEMBL6993143 0.80 PTGS2 (0.52) PTGS2CA12CA1CA2CA9
SCHEMBL6996457 0.80 CA2 (0.52) PTGS2CA12CA1CA2CA9

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