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Sugi Predict / Compounds / SCHEMBL9301726

SCHEMBL9301726

SCHEMBL9301726

COC(=O)COCc1cc(-c2ccccc2)c2ccc(OCc3cccc(C4CC(O)CCO4)c3)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 14/20 0.48
▸ P2RY14 Q15391 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL9301050 0.89 ALOX5 (0.60) ALOX5P2RY14
SCHEMBL9300305 0.87 ALOX5 (0.59) ALOX5P2RY14
SCHEMBL9301392 0.86 ALOX5 (0.58) ALOX5P2RY14
SCHEMBL9300867 0.86 ALOX5 (0.62) ALOX5P2RY14
SCHEMBL9303401 0.85 ALOX5 (0.52) ALOX5P2RY14
SCHEMBL9382166 0.84 ALOX5 (0.61) ALOX5P2RY14
SCHEMBL9300801 0.84 ALOX5 (0.49) ALOX5P2RY14
SCHEMBL9301964 0.84 ALOX5 (0.49) ALOX5P2RY14
SCHEMBL9302530 0.84 P2RY14 (0.63) ALOX5P2RY14
SCHEMBL9301054 0.83 ALOX5 (0.50) 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