SCHEMBL29510666

SCHEMBL29510666

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GNPAT O15228 2/20 0.52
FURIN P09958 4/20 0.51
PCSK6 P29122 1/20 0.51
FOLH1 Q04609 1/20 0.45
ECE1 P42892 2/20 0.43
CPB2 Q96IY4 2/20 0.43
CTSD P07339 1/20 0.43
BACE1 P56817 1/20 0.43
SIRT6 Q8N6T7 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
CTSL P07711 1/20 0.42
SIRT5 Q9NXA8 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
SCHEMBL29510734 0.92 FURIN (0.52) GNPATFURINPCSK6SIRT6SIRT1
SCHEMBL29510589 0.89 FURIN (0.54) FURINPCSK6ECE1SIRT6SIRT1
SCHEMBL29510727 0.89 FURIN (0.54) FURINPCSK6ECE1SIRT6SIRT1
SCHEMBL30374879 0.87 FOLH1 (0.50) GNPATFURINPCSK6FOLH1CPB2
SCHEMBL30873802 0.86 GNPAT (0.53) GNPATFURINPCSK6FOLH1ECE1
SCHEMBL30320474 0.85 BACE1 (0.46) FURINPCSK6FOLH1CPB2CTSD
SCHEMBL14028952 0.85 FURIN (0.47) FURINPCSK6SIRT6SIRT1CTSL
SCHEMBL29399159 0.85 SIRT6 (0.51) GNPATFURINPCSK6SIRT6SIRT1
SCHEMBL30608459 0.84 FURIN (0.50) GNPATFURINPCSK6CPB2SIRT6
SCHEMBL30446955 0.83 FOLH1 (0.49) GNPATFOLH1ECE1CPB2BACE1

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
EP-3980134-A1 BIOACTIVE PEPTIDES AND COMPOSITIONS COMPRISING THEM Espikem S.r.l. (IT) 2022-04-13 EP disclosed