SCHEMBL7001390

SCHEMBL7001390

CC(=O)c1ccc(C2=C(c3ccc(S(C)(=O)=O)cc3)OC3(CCCCC3)C2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.43
PTGS1 P23219 5/20 0.43
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6997079 0.99 PTGS2 (0.44) PTGS2PTGS1NPC1ALDH1A1MAPT
SCHEMBL6997740 0.90 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL6999495 0.86 PTGS2 (0.58) PTGS2PTGS1ALDH1A1
SCHEMBL6997197 0.84 PTGS2 (0.60) PTGS2PTGS1ALDH1A1
SCHEMBL7003888 0.83 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL6997640 0.82 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL6997318 0.82 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL7000173 0.82 PTGS2 (0.43) PTGS2PTGS1MAPTRAB9A
SCHEMBL6992566 0.81 PTGS2 (0.52) PTGS2PTGS1ALDH1A1
SCHEMBL7002999 0.80 PTGS2 (0.46) PTGS2PTGS1ALDH1A1

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 7 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
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