SCHEMBL9154909

SCHEMBL9154909

O=c1cc(-c2ccoc2)c2ccc(OCc3cccc(C4CC(O)CCO4)c3)cc2n1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 14/20 0.54
DYRK1A Q13627 1/20 0.36
CA12 O43570 3/20 0.34
CA9 Q16790 3/20 0.34
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
NFKB1 P19838 1/20 0.33
MAOB P27338 1/20 0.33
GRM5 P41594 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL9161283 0.92 ALOX5 (0.45) ALOX5DYRK1ACA12CA9NPC1
SCHEMBL9153216 0.91 ALOX5 (0.52) ALOX5DYRK1A
SCHEMBL9155047 0.91 ALOX5 (0.52) ALOX5DYRK1ACA12CA9
SCHEMBL9161507 0.87 ALOX5 (0.42) ALOX5DYRK1ACA12CA9NPC1
SCHEMBL9158135 0.83 ALOX5 (0.42) ALOX5DYRK1ACA12CA9NPC1
SCHEMBL9156957 0.83 MAOB (0.39) ALOX5MAOB
SCHEMBL9261102 0.82 MAOB (0.49) ALOX5NPC1ALDH1A1HPGDMAOB
SCHEMBL9159702 0.80 GRM4 (0.40) ALOX5
SCHEMBL9301706 0.79 ALOX5 (0.46) ALOX5
SCHEMBL9156981 0.79 F10 (0.41) ALOX5NPC1ALDH1A1HPGDNFKB1

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-5410054-A Heteroaryl quinolines as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA, INC. (CA) 1995-04-25 US disclosed