SCHEMBL8931432

SCHEMBL8931432

CCCCOC(=O)C(N)CCCC(N)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 8/20 0.63
DDAH1 O94760 4/20 0.47
SLC1A2 P43004 2/20 0.47
SLC1A1 P43005 2/20 0.47
SLC1A3 P43003 1/20 0.47
GRIK1 P39086 2/20 0.46
GRIK2 Q13002 2/20 0.46
GSR P00390 1/20 0.46
NOS1 P29475 3/20 0.45
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.42
NOS3 P29474 1/20 0.42
CYP2C19 P33261 1/20 0.42
NOS2 P35228 1/20 0.42
KMT2A Q03164 1/20 0.42
ARG1 P05089 1/20 0.42
ARG2 P78540 1/20 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
SCHEMBL28971825 0.93 NOD1 (0.71) NOD1DDAH1SLC1A2SLC1A1GRIK1
SCHEMBL16053733 0.93 NOD1 (0.71) NOD1DDAH1SLC1A2SLC1A1GRIK1
SCHEMBL28525341 0.89 NOD1 (0.56) NOD1DDAH1SLC1A2SLC1A1SLC1A3
SCHEMBL1097461 0.89 NOD1 (0.50) NOD1SLC1A2SLC1A1SLC1A3ALDH1A1
SCHEMBL4957809 0.89 NOD1 (0.50) NOD1SLC1A2SLC1A1SLC1A3ALDH1A1
SCHEMBL8601166 0.85 NOD1 (0.55) NOD1SLC1A2SLC1A1GRIK1GRIK2
SCHEMBL27586212 0.85 NOD1 (0.55) NOD1SLC1A2SLC1A1GRIK1GRIK2
SCHEMBL25856290 0.85 NOD1 (0.62) NOD1ALDH1A1
SCHEMBL16710358 0.85 ALDH1A1 (0.50) NOD1SLC1A2SLC1A1SLC1A3GRIK1
SCHEMBL2123202 0.84 NOD1 (0.51) NOD1ALDH1A1MEN1KMT2A

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
EP-0759786-A1 SOMATOSTATIN BINDING PEPTIDE-METAL CHELATE CONJUGATES DIATECH, INC. (US) 1997-03-05 EP disclosed
WO-1995031221-A1 SOMATOSTATIN BINDING PEPTIDE-METAL CHELATE CONJUGATES DIATECH, INC. (US) 1995-11-23 WO disclosed