SCHEMBL9302072

SCHEMBL9302072

COC(=O)c1cc(-c2nccs2)c2ccc(OCc3cccc(C4CC(O)CCO4)c3)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 9/20 0.47
SYK P43405 1/20 0.38
P2RY14 Q15391 1/20 0.37
MRGPRX4 Q96LA9 4/20 0.37
GPR84 Q9NQS5 1/20 0.36
PRKDC P78527 1/20 0.36
FFAR1 O14842 1/20 0.36

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
SCHEMBL9300867 0.87 ALOX5 (0.62) ALOX5P2RY14MRGPRX4
SCHEMBL9301373 0.87 ALOX5 (0.46) ALOX5P2RY14MRGPRX4GPR84PRKDC
SCHEMBL9302013 0.85 ALOX5 (0.47) ALOX5P2RY14MRGPRX4GPR84PRKDC
SCHEMBL9301510 0.84 ALOX5 (0.51) ALOX5P2RY14MRGPRX4
SCHEMBL9301768 0.82 ALOX5 (0.45) ALOX5MRGPRX4GPR84PRKDC
SCHEMBL9382166 0.79 ALOX5 (0.61) ALOX5P2RY14
SCHEMBL9302530 0.79 P2RY14 (0.63) ALOX5P2RY14MRGPRX4
SCHEMBL9162779 0.77 ALOX5 (0.44) ALOX5P2RY14
SCHEMBL9301164 0.76 P2RY14 (0.49) ALOX5P2RY14
SCHEMBL9300305 0.75 ALOX5 (0.59) 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 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