SCHEMBL28038714

SCHEMBL28038714

CC(CC(=O)O)OC(=O)[C@@H](N)CCCNC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.36
OTC P00480 1/20 0.35
DDAH1 O94760 1/20 0.34
ARG1 P05089 1/20 0.33
C3AR1 Q16581 1/20 0.33
TACR3 P29371 1/20 0.32
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32
ANPEP P15144 2/20 0.32
RNPEP Q9H4A4 2/20 0.32
DNPEP Q9ULA0 1/20 0.32
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 0.32
BHMT Q93088 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 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
SCHEMBL28276618 0.89 NPY4R (0.38) DPP7OTCDDAH1ITGB3ITGA2B
SCHEMBL19459581 0.89 NPY4R (0.38) DPP7OTCDDAH1ITGB3ITGA2B
SCHEMBL28275413 0.88 NPY4R (0.37) DPP7OTCDDAH1ITGB3ITGA2B
SCHEMBL28038631 0.80 GSR (0.43) DPP7GNAI3GNAO1GNAI1BHMT
SCHEMBL25363290 0.80 LMNA (0.47) DPP7MEN1KMT2A
L-Citrulline SCHEMBL15231732 0.79 OTC (0.37) OTCDDAH1C3AR1ANPEPRNPEP
SCHEMBL28013447 0.79 GSR (0.50) DPP7GNAI3GNAO1GNAI1RNPEP
SCHEMBL8580173 0.78 DPP7 (0.43) DPP7OTCDDAH1ARG1C3AR1
SCHEMBL11787815 0.78 DPP7 (0.43) DPP7OTCDDAH1ARG1C3AR1
SCHEMBL22658233 0.77 OTC (0.35) DPP7OTCDDAH1ARG1C3AR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105050594-A Compositions and methods for producing elevated and sustained ketosis UNIV SOUTH FLORIDA 2015-11-11 CN claimed
CN-105050594-A Compositions and methods for producing elevated and sustained ketosis UNIV SOUTH FLORIDA 2015-11-11 CN disclosed