SCHEMBL6984374

SCHEMBL6984374

CC(C)(C)c1cc(C=O)cc2c1SCC2(C)C

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.53
PTGS1 P23219 6/20 0.53
ALOX5 P09917 2/20 0.37
GABBR2 O75899 1/20 0.31
GABBR1 Q9UBS5 1/20 0.31
RARA P10276 1/20 0.30
RARB P10826 1/20 0.30
RARG P13631 1/20 0.30

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
SCHEMBL6642062 0.76 PTGS1 (0.53) PTGS2PTGS1ALOX5
SCHEMBL6672311 0.76 PTGS1 (0.53) PTGS2PTGS1ALOX5
SCHEMBL6668333 0.75 PTGS1 (0.52) PTGS2PTGS1
SCHEMBL6593328 0.71 PTGS2 (0.62) PTGS2PTGS1ALOX5
SCHEMBL6671972 0.70 PTGS1 (0.47) PTGS2PTGS1ALOX5
SCHEMBL6673352 0.70 PTGS1 (0.53) PTGS2PTGS1ALOX5
SCHEMBL8759810 0.70 PTGS2 (1.00) PTGS2PTGS1ALOX5
SCHEMBL8759670 0.68 PTGS2 (0.86) PTGS2PTGS1ALOX5
SCHEMBL8349771 0.68 PTGS1 (0.45) PTGS2PTGS1ALOX5
SCHEMBL13479401 0.67 PTGS1 (0.39) PTGS2PTGS1ALOX5GABBR2GABBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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