SCHEMBL13618233

SCHEMBL13618233

CCOc1cc(COc2cccc(C)c2)cc(OCC)n1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.51
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
MAOA P21397 1/20 0.47
TP53 P04637 2/20 0.46
POLB P06746 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44
THRB P10828 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL685837 0.79 MAOB (0.68) MAOBMAOAHRH3
SCHEMBL1549250 0.78 MAOB (0.68) MAOBMAOAHRH3
SCHEMBL129831 0.78 TP53 (0.61) MAOBRAB9ASMN1; SMN2GAAMAPT
SCHEMBL30167753 0.78 TP53 (0.61) MAOBRAB9ASMN1; SMN2GAAMAPT
SCHEMBL13618122 0.77 MAOB (0.54) MAOBNPC1RAB9ASMN1; SMN2GAA
SCHEMBL15344203 0.77 MAOB (0.80) MAOBMAOA
SCHEMBL1547975 0.77 MAOB (0.74) MAOBMAOA
Ammonia Solution, Strong SCHEMBL27820327 0.76 TP53 (0.59) MAOBNPC1RAB9ASMN1; SMN2GAA
SCHEMBL8265043 0.76 MAOB (0.63) MAOBHTTMAOAALDH1A1ALOX15
SCHEMBL14087633 0.76 MAOB (0.58) MAOBGAAMAPTHTTMAOA

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
EP-1833816-B1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-11-11 EP disclosed