SCHEMBL9302530

SCHEMBL9302530

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

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.63
ALOX5 P09917 11/20 0.52
MRGPRX4 Q96LA9 2/20 0.43

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 0.93 ALOX5 (0.61) P2RY14ALOX5
SCHEMBL9300867 0.92 ALOX5 (0.62) P2RY14ALOX5MRGPRX4
SCHEMBL9301164 0.89 P2RY14 (0.49) P2RY14ALOX5
SCHEMBL9301392 0.89 ALOX5 (0.58) P2RY14ALOX5
SCHEMBL9301469 0.88 ALOX5 (0.47) P2RY14ALOX5
SCHEMBL9303401 0.87 ALOX5 (0.52) P2RY14ALOX5
SCHEMBL9300305 0.87 ALOX5 (0.59) P2RY14ALOX5
SCHEMBL9301050 0.86 ALOX5 (0.60) P2RY14ALOX5
SCHEMBL9301503 0.86 ALOX5 (0.60) P2RY14ALOX5
SCHEMBL9300801 0.85 ALOX5 (0.49) P2RY14ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5308852-A Cardiovascular disorders MERCK FROSST CANADA, INC. (CA) 1994-05-03 US 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