SCHEMBL10658149

SCHEMBL10658149

CC(C)(C)C(=O)NCCC[C@H](N)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OTC P00480 1/20 0.53
POLB P06746 1/20 0.46
GSR P00390 1/20 0.46
DDAH1 O94760 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
NOS2 P35228 4/20 0.42
NOS3 P29474 3/20 0.42
NOS1 P29475 3/20 0.42
CYP2C19 P33261 2/20 0.42
DPP7 Q9UHL4 1/20 0.42
ARG2 P78540 4/20 0.42
ARG1 P05089 3/20 0.42
NOD1 Q9Y239 1/20 0.42
CYP1A2 P05177 2/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
GLA P06280 1/20 0.41
NFKB1 P19838 1/20 0.41

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
SCHEMBL29187390 0.95 GSR (0.48) OTCPOLBGSRNOS2NOS3
SCHEMBL21568530 0.95 GSR (0.48) OTCPOLBGSRNOS2NOS3
SCHEMBL30640443 0.89 GSR (0.42) OTCPOLBGSRKMT2ACYP1A2
SCHEMBL4926994 0.83 DPP7 (0.47) OTCPOLBMEN1KMT2AGAA
SCHEMBL18741145 0.83 GSR (0.47) OTCGSRDDAH1NOS2NOS3
SCHEMBL22679808 0.82 ALDH1A1 (0.59) OTCPOLBGSRDDAH1MEN1
SCHEMBL31296029 0.82 ALDH1A1 (0.59) OTCPOLBGSRDDAH1MEN1
SCHEMBL22689835 0.81 GSR (0.46) OTCGSRDDAH1NOS2NOS3
SCHEMBL22689973 0.81 GSR (0.46) OTCGSRMEN1KMT2AGAA
SCHEMBL27455384 0.81 GSR (0.46) OTCGSRDDAH1NOS2NOS3

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-4727060-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1988-02-23 US disclosed