SCHEMBL9300407

SCHEMBL9300407

N#Cc1cc(-c2ccoc2)c2ccc(OCc3cccc(C4(O)CC5COC(C4)O5)c3)cc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 20/20 1.00

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
SCHEMBL29519211 1.00 ALOX5 (1.00) ALOX5
SCHEMBL9303010 0.89 ALOX5 (0.80) ALOX5
SCHEMBL9387577 0.88 ALOX5 (0.78) ALOX5
SCHEMBL30108090 0.86 ALOX5 (1.00) ALOX5
SCHEMBL2685255 0.86 ALOX5 (1.00) ALOX5
SCHEMBL13920494 0.79 ALOX5 (0.87) ALOX5
SCHEMBL9258913 0.79 ALOX5 (0.71) ALOX5
SCHEMBL14446987 0.79 ALOX5 (0.87) ALOX5
SCHEMBL8353043 0.78 ALOX5 (0.64) ALOX5
SCHEMBL9381761 0.77 ALOX5 (0.68) ALOX5

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 1 patent. 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