SCHEMBL9154667

SCHEMBL9154667

COC1CCOC(c2cccc(COc3ccc4c(-c5ccccc5)cc(OCc5ccccc5)nc4c3)c2)C1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 15/20 0.39
PARP14 Q460N5 1/20 0.39
MAOB P27338 1/20 0.38
P2RY14 Q15391 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL9159680 0.95 ALOX5 (0.39) ALOX5PARP14MAOBP2RY14KDM4E
SCHEMBL9159665 0.91 ALOX5 (0.37) ALOX5MAOB
SCHEMBL9160050 0.89 ALOX5 (0.41) ALOX5PARP14MAOB
SCHEMBL9254545 0.81 MAOB (0.61) MAOBALDH1A1TDP1
SCHEMBL9161622 0.80 MAOB (0.39) ALOX5MAOBALDH1A1HSD17B10
SCHEMBL9154816 0.79 MAOB (0.38) ALOX5MAOBP2RY14ALDH1A1
SCHEMBL9158135 0.79 ALOX5 (0.42) ALOX5MAOBALDH1A1
SCHEMBL9161437 0.79 GRM4 (0.39) ALOX5
SCHEMBL9160895 0.78 MAOB (0.38) ALOX5MAOBALDH1A1
SCHEMBL9154676 0.77 GRM4 (0.38) ALOX5PARP14

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