SCHEMBL6996360

SCHEMBL6996360

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.41
LOX P28300 2/20 0.39
BRD4 O60885 2/20 0.39
FLT3 P36888 2/20 0.39
CCNB2 O95067 2/20 0.38
CDK1 P06493 2/20 0.38
CCNB1 P14635 2/20 0.38
CDK5 Q00535 2/20 0.38
CDK5R1 Q15078 2/20 0.38
CCNB3 Q8WWL7 2/20 0.38
CCNT1 O60563 1/20 0.38
CCNE2 O96020 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CDK9 P50750 1/20 0.38
LOXL2 Q9Y4K0 2/20 0.38
LRRK2 Q5S007 1/20 0.37
PTGS1 P23219 1/20 0.36
MET P08581 1/20 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
SCHEMBL6993155 0.90 FYN (0.41) PTGS2LOXCCNB2CDK1CCNB1
SCHEMBL6997158 0.88 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL7000602 0.88 LOX (0.40) PTGS2LOXBRD4FLT3CCNB2
SCHEMBL7003059 0.86 FLT3 (0.41) PTGS2LOXFLT3CCNB2CDK1
SCHEMBL6997858 0.86 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL6996362 0.83 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL6999875 0.81 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL7000690 0.81 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL6999474 0.80 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL6993661 0.79 PTGS2 (0.46) PTGS2PTGS1

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
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
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