SCHEMBL6995448

SCHEMBL6995448

CC1(C)OC(c2ccc(S(C)(=O)=O)cc2)=C(c2ccccc2)C1=O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.59
PTGS1 P23219 11/20 0.59
ABCB11 O95342 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MT-CO2 P00403 1/20 0.52
HTR1A P08908 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
MC4R P32245 1/20 0.52

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
SCHEMBL6996537 0.99 PTGS2 (0.58) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL7001297 0.94 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL6992929 0.90 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL6991394 0.87 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL7001951 0.87 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL7002325 0.87 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL7001296 0.87 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL7002002 0.87 PTGS2 (0.56) PTGS2PTGS1MT-CO2ADORA3
SCHEMBL6994742 0.87 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL7002356 0.86 PTGS2 (0.51) 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 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