SCHEMBL10434878

SCHEMBL10434878

CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)C(=O)NC(=O)N1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.39
ITGA2B P08514 6/20 0.39
CPB2 Q96IY4 2/20 0.38
RRM1 P23921 5/20 0.36
RRM2 P31350 5/20 0.36
RRM2B Q7LG56 5/20 0.36
BACE1 P56817 5/20 0.36
CTSD P07339 2/20 0.36
BACE2 Q9Y5Z0 1/20 0.36

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
SCHEMBL10435107 0.90 NPY4R (0.41) ITGB3ITGA2B
SCHEMBL10376808 0.83 GAA (0.34) RRM1RRM2RRM2BBACE1
SCHEMBL29776755 0.81 GSR (0.44) BACE1CTSDBACE2
SCHEMBL30242247 0.80 GNPAT (0.49) CPB2BACE1CTSDBACE2
SCHEMBL10378604 0.80 NPY4R (0.38)
SCHEMBL31110645 0.79 ENPEP (0.46) BACE1
SCHEMBL28081121 0.78 OPRD1 (0.45) BACE1CTSDBACE2
SCHEMBL7694261 0.78 DPP7 (0.44) ITGB3ITGA2B
SCHEMBL11102541 0.78 FURIN (0.42) BACE1CTSDBACE2
SCHEMBL31406797 0.77 BACE1 (0.51) BACE1CTSDBACE2

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-0361977-A2 Peptides having T cell suppressor activity IMMUNOBIOLOGY RESEARCH INSTITUTE, INC. (US) 1990-04-04 EP disclosed