SCHEMBL6997522

SCHEMBL6997522

CCC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2ccc(OC)c(F)c2)C1=O

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.53
PTGS1 P23219 16/20 0.53
CDK2 P24941 1/20 0.43
ABCB11 O95342 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL6999267 0.92 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL7002570 0.91 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL7000289 0.88 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL7003249 0.83 CHRNA7 (0.38) PTGS2PTGS1
SCHEMBL7001200 0.83 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL7002929 0.82 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL7002517 0.82 CA9 (0.48) PTGS2CDK2
SCHEMBL6999067 0.82 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL6996026 0.81 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL6997291 0.80 PTGS2 (0.37) 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
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