SCHEMBL6995070

SCHEMBL6995070

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

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.45
PTGS1 P23219 5/20 0.43
PGR P06401 1/20 0.42
ALKBH3 Q96Q83 1/20 0.40

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
SCHEMBL7002517 0.91 CA9 (0.48) PTGS2PGRALKBH3
SCHEMBL6995103 0.90 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL6998575 0.88 PTGS2 (0.43) PTGS2PTGS1ALKBH3
SCHEMBL7000686 0.88 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL7003459 0.87 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL6999220 0.87 PTGS2 (0.49) PTGS2PTGS1PGRALKBH3
SCHEMBL6996026 0.85 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL7003688 0.85 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL7001052 0.85 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL6994456 0.85 PTGS2 (0.44) PTGS2PTGS1PGR

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 8 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-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2001-06-27 EP claimed
WO-2000061571-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2000-10-19 WO 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