SCHEMBL4389909

SCHEMBL4389909

CC(C)(C)c1cc(C2(CCCC=O)CC2)cc2c1OCC2(C)C

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.46
PTGS1 P23219 19/20 0.46
ALOX5 P09917 11/20 0.46

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
SCHEMBL8869382 0.79 PTGS2 (0.47) PTGS2PTGS1ALOX5
SCHEMBL4613161 0.76 PTGS2 (0.50) PTGS2PTGS1ALOX5
SCHEMBL4612261 0.74 PTGS2 (0.48) PTGS2PTGS1ALOX5
SCHEMBL4612630 0.73 PTGS2 (0.47) PTGS2PTGS1ALOX5
SCHEMBL4612808 0.71 PTGS2 (0.47) PTGS2PTGS1ALOX5
SCHEMBL6758656 0.71 PTGS2 (0.47) PTGS2PTGS1ALOX5
SCHEMBL6593328 0.70 PTGS2 (0.62) PTGS2PTGS1ALOX5
SCHEMBL4612372 0.68 PTGS2 (0.63) PTGS2PTGS1ALOX5
SCHEMBL4612419 0.67 PTGS2 (0.44) PTGS2PTGS1ALOX5
SCHEMBL7799595 0.67 PTGS2 (0.51) PTGS2PTGS1ALOX5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1892239-B1 Inhibitors of cytosolic phospholipase A2 WYETH LLC (US) 2013-02-20 EP disclosed
EP-1797104-B1 DERIVATIVES OF [2-(8,9-DIOXO-2,6-DIAZABICYCLO[5.2.0]NON-1(7)-EN-2-YL)ALKYL]PHOSPHONIC ACID AND METHOD OF MAKING THEM WYETH CORP (US) 2009-11-25 EP disclosed
EP-1892239-A1 Inhibitors of cytosolic phospholipase A2 Wyeth a Corporation of the State of Delaware (US) 2008-02-27 EP disclosed
EP-0773939-B1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS UNIV VANDERBILT (US) 2008-02-06 EP disclosed
EP-1451154-B1 INHIBITORS OF CYTOSOLIC PHOSPHOLIPASE A2 WYETH CORP (US) 2008-01-16 EP disclosed