SCHEMBL6593328

SCHEMBL6593328

CC(C)(C)c1cc(C=O)cc2c1OCC2(C)C

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.62
PTGS1 P23219 18/20 0.62
ALOX5 P09917 12/20 0.62

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
SCHEMBL670524 0.79 PTGS2 (0.40) PTGS2PTGS1ALOX5
SCHEMBL7799595 0.78 PTGS2 (0.51) PTGS2PTGS1ALOX5
SCHEMBL5657768 0.78 PTGS2 (0.39) PTGS2PTGS1ALOX5
SCHEMBL15947273 0.78 PTGS2 (0.39) PTGS2PTGS1ALOX5
SCHEMBL13479401 0.78 PTGS1 (0.39) PTGS2PTGS1ALOX5
SCHEMBL25188734 0.78 PTGS2 (0.39) PTGS2PTGS1ALOX5
SCHEMBL15726927 0.77 PTGS2 (0.57) PTGS2PTGS1ALOX5
SCHEMBL4613161 0.77 PTGS2 (0.50) PTGS2PTGS1ALOX5
SCHEMBL6669568 0.76 PTGS2 (0.55) PTGS2PTGS1ALOX5
SCHEMBL6153247 0.76 PTGS2 (0.55) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888323-B1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS UNIV VANDERBILT (US) 2004-05-19 EP disclosed
EP-0904272-B1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS UNIV VANDERBILT (US) 2003-04-09 EP disclosed
EP-0904272-A1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1999-03-31 EP disclosed
EP-0888323-A1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1999-01-07 EP disclosed
US-5686471-A Dihydrobenzofuran and related compounds useful as anti-inflammatory agents THE PROCTER & GAMBLE COMPANY (US) 1997-11-11 US disclosed
WO-1997028155-A1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1997-08-07 WO disclosed
WO-1997028147-A1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1997-08-07 WO disclosed
US-5618835-A ANALGESICS THE PROCTER & GAMBLE COMPANY (US) 1997-04-08 US disclosed