SCHEMBL6992989

SCHEMBL6992989

C[S+]([O-])c1ccc(C2=C(c3ccccc3)C(=O)C(C)(C)O2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.32
PTGS1 P23219 4/20 0.32
PGR P06401 2/20 0.32
HK2 P52789 1/20 0.30

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
SCHEMBL7001623 0.92 PGR (0.34) PTGS2PTGS1PGR
SCHEMBL6994777 0.90 PGR (0.40) PTGS2PTGS1PGR
SCHEMBL7003571 0.89 PTGS2 (0.33) PTGS2PTGS1PGR
SCHEMBL7003223 0.88 PTGS2 (0.33) PTGS2PTGS1HK2
SCHEMBL6992436 0.88 PTGS2 (0.43) PTGS2PTGS1PGR
SCHEMBL6994340 0.86 PTGS2 (0.35) PTGS2PTGS1PGR
SCHEMBL6996452 0.86 HK2 (0.33) PTGS2PTGS1HK2
SCHEMBL6997346 0.86 PTGS2 (0.32) PTGS2PTGS1PGRHK2
SCHEMBL6995643 0.85 PTGS2 (0.37) PTGS2PTGS1PGR
SCHEMBL6994703 0.85 PTGES (0.34) PTGS1PGR

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 10 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
CN-1166658-C 4,5 diaryl-3 (2H) -furanone derivatives as cyclooxygenase-2 inhibitors ��ʽ����̫ƽ�� 2004-09-15 CN disclosed
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
CN-1348447-A 4,5 diaryl-3 (2H) -furanone derivatives as cyclooxygenase-2 inhibitors PACIFIC CORP (KR) 2002-05-08 CN 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