SCHEMBL9160895

SCHEMBL9160895

COC1CCOC(c2cccc(COc3ccc4c(-c5ccccc5)cc(=O)n(-c5ccccc5)c4c3)c2)C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.38
ALOX5 P09917 14/20 0.38
GRM5 P41594 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
MAOA P21397 1/20 0.34

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
SCHEMBL9161622 0.91 MAOB (0.39) MAOBALOX5GRM5NPC1ALDH1A1
SCHEMBL9154816 0.90 MAOB (0.38) MAOBALOX5GRM5NPC1ALDH1A1
SCHEMBL9158135 0.90 ALOX5 (0.42) MAOBALOX5GRM5NPC1ALDH1A1
SCHEMBL9160924 0.86 CNR1 (0.39) MAOBALOX5GRM5NPC1ALDH1A1
SCHEMBL9155086 0.85 FAAH (0.40) MAOBALOX5CA12CA9
SCHEMBL9156479 0.85 ALOX5 (0.38) MAOBALOX5GRM5NPC1ALDH1A1
SCHEMBL9153222 0.83 ALOX5 (0.39) MAOBALOX5GRM5CA12CA9
SCHEMBL9155047 0.83 ALOX5 (0.52) ALOX5CA12CA9
SCHEMBL9254545 0.82 MAOB (0.61) MAOBNPC1ALDH1A1HPGDRAB9A
SCHEMBL9157666 0.82 ALOX5 (0.39) MAOBALOX5GRM5NPC1ALDH1A1

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