SCHEMBL6996920

SCHEMBL6996920

CCC1(C)OC(c2ccc(S(C)(=O)=O)cc2)=C(c2cccc(NC(C)=O)c2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.44
CA2 P00918 1/20 0.41
PTGS2 P35354 8/20 0.41
ADAMTS4 O75173 1/20 0.40
PTGS1 P23219 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PIP4K2A P48426 1/20 0.39
PIP4K2B P78356 1/20 0.39
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
PTK2 Q05397 1/20 0.39
NQO2 P16083 1/20 0.38
PLK4 O00444 1/20 0.38
PSMB11 A5LHX3 1/20 0.38
PSMD11 O00231 1/20 0.38
PSMD12 O00232 1/20 0.38
PSMD14 O00487 1/20 0.38
PSMA7 O14818 1/20 0.38

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
SCHEMBL6999623 0.88 FYN (0.47) FYNCA2PTGS2ADAMTS4PTGS1
SCHEMBL6999118 0.87 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL7003459 0.83 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL7003688 0.81 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL6994456 0.81 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL7001052 0.81 PTGS2 (0.47) CA2PTGS2PTGS1
SCHEMBL6999474 0.81 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL7001035 0.80 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL6995070 0.80 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL6993224 0.80 PTGS2 (0.47) 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