SCHEMBL28525341

SCHEMBL28525341

CCC[C@H](N)C(=O)OCCCC(N)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 4/20 0.56
SLC1A2 P43004 3/20 0.46
SLC1A1 P43005 3/20 0.46
SLC1A3 P43003 2/20 0.46
GRIK1 P39086 2/20 0.46
GRIK2 Q13002 2/20 0.46
GSR P00390 1/20 0.46
DDAH1 O94760 5/20 0.45
NOS1 P29475 4/20 0.45
NOS3 P29474 2/20 0.42
NOS2 P35228 2/20 0.42
MEN1 O00255 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
ARG1 P05089 3/20 0.42
ARG2 P78540 3/20 0.42

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
SCHEMBL8931432 0.89 NOD1 (0.63) NOD1SLC1A2SLC1A1SLC1A3GRIK1
SCHEMBL16053733 0.86 NOD1 (0.71) NOD1SLC1A2SLC1A1GRIK1GRIK2
SCHEMBL28971825 0.86 NOD1 (0.71) NOD1SLC1A2SLC1A1GRIK1GRIK2
SCHEMBL16710358 0.85 ALDH1A1 (0.50) NOD1SLC1A2SLC1A1SLC1A3GRIK1
SCHEMBL28042569 0.84 NOD1 (0.50) NOD1SLC1A2SLC1A1SLC1A3GRIK1
SCHEMBL16124533 0.83 NOD1 (0.52) NOD1SLC1A2SLC1A1GRIK1GRIK2
SCHEMBL21702868 0.82 ALDH1A1 (0.51) NOD1MEN1KMT2A
SCHEMBL29255845 0.81 NOD1 (0.55) NOD1GRIK1GRIK2
SCHEMBL4957809 0.81 NOD1 (0.50) NOD1SLC1A2SLC1A1SLC1A3CYP2C19
SCHEMBL1097461 0.81 NOD1 (0.50) NOD1SLC1A2SLC1A1SLC1A3CYP2C19

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
CN-112533938-A Polypeptides that self-assemble into nanoparticles 苏黎世联邦理工学院 2021-03-19 CN disclosed