SCHEMBL4614766

SCHEMBL4614766

CC(C)(C)c1cc(C(=O)CCCC2CC2)cc2c1OCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 1.00
PTGS1 P23219 16/20 1.00
ALOX5 P09917 7/20 0.64
ACHE P22303 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4613886 0.86 PTGS2 (0.76) PTGS2PTGS1ALOX5MEN1KMT2A
SCHEMBL14289269 0.86 PTGS2 (0.75) PTGS2PTGS1ALOX5ACHE
SCHEMBL4611751 0.84 PTGS2 (0.72) PTGS2PTGS1ALOX5MEN1KMT2A
SCHEMBL4632013 0.81 PTGS2 (0.67) PTGS2PTGS1ALOX5MEN1KMT2A
SCHEMBL7141533 0.81 PTGS2 (1.00) PTGS2PTGS1ALOX5
SCHEMBL441830 0.78 PTGS2 (1.00) PTGS2PTGS1ALOX5
SCHEMBL4613415 0.73 PTGS2 (0.57) PTGS2PTGS1ALOX5
SCHEMBL7137506 0.72 PTGS2 (0.56) PTGS2PTGS1ALOX5MEN1KMT2A
SCHEMBL4613343 0.71 PTGS2 (0.55) PTGS2PTGS1ALOX5
SCHEMBL7134569 0.71 PTGS2 (0.58) PTGS2PTGS1ALOX5MEN1KMT2A

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-0773939-B1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS UNIV VANDERBILT (US) 2008-02-06 EP disclosed
US-5674891-A ANALGESICS WITH SIDE EFFECT REDUCTION THE PROCTER & GAMBLE COMPANY (US) 1997-10-07 US disclosed
US-5656661-A ANALGESICS THE PROCTER & GAMBLE COMPANY (US) 1997-08-12 US disclosed
EP-0773939-A1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1997-05-21 EP disclosed
WO-1996003396-A1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1996-02-08 WO disclosed