SCHEMBL9053379

SCHEMBL9053379

COC(=O)Cc1cccc(OCc2ccc3ccccc3n2)c1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.72
CYSLTR1 Q9Y271 8/20 0.68
GPBAR1 Q8TDU6 2/20 0.68
CYSLTR2 Q9NS75 5/20 0.63

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
SCHEMBL7808132 0.91 ALOX5 (0.63) ALOX5CYSLTR1
SCHEMBL8800199 0.87 ALOX5 (0.72) ALOX5CYSLTR1GPBAR1CYSLTR2
SCHEMBL9053241 0.87 CYSLTR1 (0.73) ALOX5CYSLTR1GPBAR1CYSLTR2
SCHEMBL10696181 0.86 ALOX5 (0.69) ALOX5CYSLTR1GPBAR1CYSLTR2
SCHEMBL10692276 0.84 ALOX5 (1.00) ALOX5CYSLTR1GPBAR1CYSLTR2
SCHEMBL1419799 0.84 ALOX5 (0.64) ALOX5CYSLTR1GPBAR1CYSLTR2
Acetic Acid Methyl Ester SCHEMBL27424540 0.83 CYSLTR1 (0.66) ALOX5CYSLTR1GPBAR1CYSLTR2
SCHEMBL9827537 0.82 CYSLTR1 (0.83) ALOX5CYSLTR1GPBAR1CYSLTR2
SCHEMBL9053620 0.82 CYSLTR1 (0.59) ALOX5CYSLTR1CYSLTR2
SCHEMBL9431922 0.82 MEN1 (0.53) ALOX5CYSLTR1CYSLTR2

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
WO-1996004246-A1 PHENYLACETAMIDES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1996-02-15 WO disclosed
US-5420131-A Platelet activating factor antagonist or 5-lipoxygenase inhibitors J. URIACH & CIA, S.A. (ES) 1995-05-30 US disclosed
EP-0617032-A1 Cyanomethylpyridine derivatives as PAF antagonists and 5-lipoxygenase inhibitors J. URIACH & CIA. S.A. (ES) 1994-09-28 EP disclosed
US-4769461-A Quinolinyl benzene hydroxamic acids as anti-inflammatory/antiallergic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1988-09-06 US disclosed