SCHEMBL16644362

SCHEMBL16644362

CCc1ccc(CN2CCOCCOCCOCCOCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.69
SMN1; SMN2 Q16637 6/20 0.64
POLB P06746 1/20 0.59
ALDH1A1 P00352 2/20 0.58
LMNA P02545 2/20 0.58
MAPT P10636 2/20 0.58
KCNJ1 P48048 1/20 0.58
NOS3 P29474 1/20 0.55
NOS1 P29475 1/20 0.55
NOS2 P35228 1/20 0.55
HPGD P15428 2/20 0.50
HIF1A Q16665 2/20 0.50
EPAS1 Q99814 2/20 0.50
TSHR P16473 2/20 0.50
RAB9A P51151 2/20 0.50
HSD17B10 Q99714 1/20 0.50
HTT P42858 1/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL16644328 1.00 HRH3 (0.69) HRH3SMN1; SMN2POLBALDH1A1LMNA
SCHEMBL301839 0.98 HRH3 (0.71) HRH3SMN1; SMN2POLBALDH1A1LMNA
SCHEMBL15467001 0.88 HRH3 (0.87) HRH3SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL14787825 0.85 HRH3 (0.69) HRH3SMN1; SMN2POLBALDH1A1LMNA
SCHEMBL14791028 0.85 HRH3 (0.69) HRH3SMN1; SMN2POLBALDH1A1LMNA
SCHEMBL13061370 0.83 HRH3 (0.67) HRH3SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL11864 0.82 HRH3 (0.71) HRH3SMN1; SMN2POLBALDH1A1LMNA
SCHEMBL19251384 0.82 HRH3 (0.53) HRH3SMN1; SMN2POLBNOS3NOS1
SCHEMBL23114261 0.81 HRH3 (0.69) HRH3SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL25137036 0.80 HRH3 (0.62) HRH3SMN1; SMN2POLBALDH1A1LMNA

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-20150105239-A1 CROWN ETHER CONTAINING PEM ELECTRODE GM GLOBAL TECH OPERATIONS INC (US) 2015-04-16 US disclosed