SCHEMBL30954680

SCHEMBL30954680

NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O.[Cu]

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC15A2 Q16348 1/20 0.41
ITGB3 P05106 7/20 0.36
ITGA2B P08514 7/20 0.36
CPB2 Q96IY4 6/20 0.35
CPB1 P15086 1/20 0.35
CTSC P53634 2/20 0.33
PIN1 Q13526 1/20 0.33
P2RY14 Q15391 1/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL2811067 1.00 SLC15A2 (0.41) SLC15A2ITGB3ITGA2BCPB2CPB1
SCHEMBL1666820 0.99 SLC15A2 (0.42) SLC15A2ITGB3ITGA2BCPB2CPB1
SCHEMBL483799 0.99 SLC15A2 (0.42) SLC15A2ITGB3ITGA2BCPB2CPB1
Hydrochloric Acid SCHEMBL2199717 0.97 SLC15A2 (0.41) SLC15A2ITGB3ITGA2BCPB2CPB1
Hydrochloric Acid SCHEMBL1436163 0.97 SLC15A2 (0.41) SLC15A2ITGB3ITGA2BCPB2CPB1
SCHEMBL4588249 0.97 SLC15A2 (0.41) SLC15A2ITGB3ITGA2BCPB2CPB1
SCHEMBL29590566 0.93 SLC15A2 (0.49) SLC15A2ITGB3ITGA2BCPB2CPB1
SCHEMBL20783813 0.93 SLC15A2 (0.49) SLC15A2ITGB3ITGA2BCPB2CPB1
SCHEMBL31453803 0.93 SLC15A2 (0.49) SLC15A2ITGB3ITGA2BCPB2CPB1
SCHEMBL29888249 0.90 SLC15A2 (0.44) SLC15A2ITGB3ITGA2BCPB2CPB1

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-118032964-A Method for detecting copper peptide, hexapeptide-9 and biotin tripeptide-1 in cosmetics 上海市食品药品检验研究院 2024-05-14 CN disclosed