SCHEMBL8092902

SCHEMBL8092902

CC(C)(C)c1cc(C(=O)c2ccco2)cc2c1OCC2(C)C

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.70
PTGS1 P23219 19/20 0.70
ALOX5 P09917 11/20 0.70

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
SCHEMBL8092906 0.86 PTGS2 (0.57) PTGS2PTGS1ALOX5
SCHEMBL4612412 0.83 PTGS2 (1.00) PTGS2PTGS1ALOX5
SCHEMBL8089278 0.81 PTGS2 (0.67) PTGS2PTGS1ALOX5
SCHEMBL8089277 0.80 PTGS1 (0.58) PTGS2PTGS1ALOX5
SCHEMBL8088481 0.80 PTGS2 (0.72) PTGS2PTGS1ALOX5
SCHEMBL8089416 0.79 PTGS2 (1.00) PTGS2PTGS1ALOX5
SCHEMBL7799590 0.78 PTGS2 (0.73) PTGS2PTGS1ALOX5
SCHEMBL4611741 0.78 PTGS2 (0.69) PTGS2PTGS1ALOX5
SCHEMBL8088462 0.77 PTGS2 (0.71) PTGS2PTGS1ALOX5
SCHEMBL7797541 0.77 PTGS2 (0.67) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6107311-A ANALGESICS THE PROCTER & GAMBLE COMPANY (US) 2000-08-22 US disclosed
EP-1019387-A1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 2000-07-19 EP disclosed
US-5750543-A ARTHRITIS THE PROCTER & GAMBLE COMPANY (US) 1998-05-12 US disclosed
WO-1997028144-A1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1997-08-07 WO disclosed