SCHEMBL7001395

SCHEMBL7001395

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.47
ABCB1 P08183 1/20 0.42
PDE4B Q07343 1/20 0.41
CYP19A1 P11511 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ERN1 O75460 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL6996633 0.90 PTGS2 (0.53) PTGS2
SCHEMBL6996026 0.88 PTGS2 (0.46) PTGS2ABCB1PDE4BCYP19A1SMN1; SMN2
SCHEMBL6994444 0.85 PTGS2 (0.45) PTGS2
SCHEMBL6995203 0.85 PTGS2 (0.50) PTGS2ABCB1PDE4BCYP19A1SMN1; SMN2
SCHEMBL6998575 0.84 PTGS2 (0.43) PTGS2
SCHEMBL6997205 0.83 PTGS2 (0.45) PTGS2
SCHEMBL7000326 0.82 PTGS2 (0.49) PTGS2
SCHEMBL6998559 0.81 PTGS2 (0.54) PTGS2
SCHEMBL7001149 0.81 PTGS2 (0.45) PTGS2
SCHEMBL7001779 0.81 PTGS2 (0.54) PTGS2ALDH1A1

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