SCHEMBL2167433

SCHEMBL2167433

CC(=O)SCC(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.55
CPB2 Q96IY4 4/20 0.51
SLC6A5 Q9Y345 1/20 0.50
NOD1 Q9Y239 4/20 0.43
SLC15A2 Q16348 1/20 0.41
GNPAT O15228 1/20 0.41
GSR P00390 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
SIRT6 Q8N6T7 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
RNPEP Q9H4A4 1/20 0.39

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
SCHEMBL5239846 0.84 NOD1 (0.56) SLC6A5NOD1GNPATCA2
SCHEMBL13301142 0.84 FOLH1 (0.52) FOLH1NOD1
SCHEMBL13301145 0.81 FOLH1 (0.56) FOLH1NOD1GNPAT
SCHEMBL11433243 0.79 CPB2 (0.64) FOLH1CPB2SLC6A5SLC15A2GNPAT
SCHEMBL5215821 0.79 FOLH1 (0.58) FOLH1CPB2SLC6A5NOD1SLC15A2
SCHEMBL20477195 0.79 FOLH1 (0.58) FOLH1CPB2SLC6A5NOD1SLC15A2
SCHEMBL2494432 0.79 SLC6A5 (0.59) FOLH1CPB2SLC6A5NOD1SLC15A2
SCHEMBL19385942 0.79 SLC6A5 (0.59) FOLH1CPB2SLC6A5NOD1SLC15A2
SCHEMBL11708581 0.79 FOLH1 (0.58) FOLH1CPB2SLC6A5NOD1SLC15A2
SCHEMBL2494433 0.79 SLC6A5 (0.59) FOLH1CPB2SLC6A5NOD1SLC15A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045555-B2 Vaccine against amyloid folding intermediate DE STAAT DER NEDERLANDEN, VERT. DOOR DE MINISTER VAN VWS (NL) 2015-06-02 US disclosed
EP-2297196-B1 VACCINE AGAINST AMYLOID FOLDING INTERMEDIATE NEDERLANDEN STAAT (NL) 2012-11-14 EP disclosed
US-20110182928-A1 VACCINE AGAINST AMYLOID FOLDING INTERMEDIATE DE STAAT DER NEDERLANDEN, VERT. DOOR DE MINISTER VAN VWS (NL) 2011-07-28 US disclosed