SCHEMBL15929475

SCHEMBL15929475

CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)N(CC=O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 5/20 0.44
LPL P06858 4/20 0.44
P4HB P07237 1/20 0.35
ROCK1 Q13464 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
F11 P03951 2/20 0.32
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31

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
SCHEMBL4604189 0.81 LIPG (0.52) LIPGLPLP4HBMEN1KMT2A
SCHEMBL2522095 0.81 UCHL1 (0.31)
SCHEMBL12502667 0.78 LIPG (0.52) LIPGLPLP4HBROCK1MEN1
SCHEMBL21437973 0.77 LIPG (0.51) LIPGLPLP4HBROCK1MEN1
SCHEMBL23607748 0.75 LIPG (0.49) LIPGLPLP4HBROCK1MEN1
SCHEMBL29888970 0.75 LIPG (0.60) LIPGLPLF11
SCHEMBL2587679 0.75 LIPG (0.60) LIPGLPLF11
SCHEMBL12650216 0.75 LIPG (0.60) LIPGLPLP4HBROCK1F11
Hydrochloric Acid SCHEMBL2006790 0.74 LIPG (0.58) LIPGLPLF11
SCHEMBL108008 0.73 LIPG (0.57) LIPGLPLP4HBROCK1F11

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-8802679-B2 Glycine compound ASTELLAS PHARMA INC. (JP) 2014-08-12 US disclosed