SCHEMBL9300867

SCHEMBL9300867

COC(=O)c1cc(-c2ccccc2)c2ccc(OCc3cccc(C4CC(O)CCO4)c3)cc2c1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 15/20 0.62
P2RY14 Q15391 1/20 0.52
MRGPRX4 Q96LA9 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
SCHEMBL9382166 0.92 ALOX5 (0.61) ALOX5P2RY14
SCHEMBL9302530 0.92 P2RY14 (0.63) ALOX5P2RY14MRGPRX4
SCHEMBL9301510 0.91 ALOX5 (0.51) ALOX5P2RY14MRGPRX4
SCHEMBL9301164 0.88 P2RY14 (0.49) ALOX5P2RY14
SCHEMBL9300305 0.88 ALOX5 (0.59) ALOX5P2RY14
SCHEMBL9302072 0.87 ALOX5 (0.47) ALOX5P2RY14MRGPRX4
SCHEMBL9301050 0.87 ALOX5 (0.60) ALOX5P2RY14
SCHEMBL9302013 0.86 ALOX5 (0.47) ALOX5P2RY14MRGPRX4
SCHEMBL9301726 0.86 ALOX5 (0.48) ALOX5P2RY14
SCHEMBL9301392 0.86 ALOX5 (0.58) ALOX5P2RY14

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
JP-6087847-A None JP disclosed
US-5308852-A Cardiovascular disorders MERCK FROSST CANADA, INC. (CA) 1994-05-03 US disclosed
JP-H0687847-A HETEROARYLNAPHTHALENE AS INHIBITOR OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC 1994-03-29 JP disclosed
EP-0579304-A1 Heteroarylnaphthalenes as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1994-01-19 EP disclosed
WO-1994000444-A1 HETEROARYLNAPHTHALENES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1994-01-06 WO disclosed