SCHEMBL7002870

SCHEMBL7002870

CCC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2ccccc2)C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.51
CA1 P00915 8/20 0.46
CA2 P00918 8/20 0.46
CA12 O43570 6/20 0.46
CA9 Q16790 6/20 0.46
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
PTGS1 P23219 4/20 0.41
CA14 Q9ULX7 2/20 0.41
CA7 P43166 2/20 0.41
MT-CO2 P00403 1/20 0.41
LMNA P02545 1/20 0.41
CA3 P07451 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
ADRA2B P18089 1/20 0.41
CA4 P22748 1/20 0.41

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
SCHEMBL7002929 0.89 PTGS2 (0.47) PTGS2CA1CA2CA12CA9
SCHEMBL6993143 0.89 PTGS2 (0.52) PTGS2CA1CA2CA12CA9
SCHEMBL6999474 0.89 PTGS2 (0.54) PTGS2PTGS1MT-CO2ADORA3
SCHEMBL6998888 0.88 CA2 (0.49) PTGS2CA1CA2CA12CA9
SCHEMBL6994786 0.88 CA2 (0.45) PTGS2CA1CA2CA12CA9
SCHEMBL6996457 0.86 CA2 (0.52) PTGS2CA1CA2CA12CA9
SCHEMBL7001917 0.86 CA2 (0.47) PTGS2CA1CA2CA12CA9
SCHEMBL6999067 0.86 PTGS2 (0.48) PTGS2CA1CA2CA12CA9
SCHEMBL6995288 0.86 KIF11 (0.51) PTGS2CA1CA2CA12CA9
SCHEMBL6999843 0.86 CA1 (0.42) PTGS2CA1CA2CA12CA9

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