SCHEMBL29575751

SCHEMBL29575751

CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NTSR2 O95665 11/20 0.46
NTSR1 P30989 11/20 0.46
SORT1 Q99523 9/20 0.45
GRB2 P62993 1/20 0.45
NAA50 Q9GZZ1 1/20 0.44
CAPN1 P07384 2/20 0.44
KMT2A Q03164 1/20 0.44
FNTA P49354 2/20 0.43
FNTB P49356 2/20 0.43
CTSD P07339 1/20 0.43
BACE1 P56817 1/20 0.43

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
SCHEMBL29575720 0.90 XIAP (0.50) GRB2KMT2AFNTAFNTB
SCHEMBL29498761 0.88 KMT2A (0.46) NTSR2NTSR1SORT1KMT2A
SCHEMBL11090289 0.88 KMT2A (0.53) NTSR2NTSR1SORT1CAPN1KMT2A
SCHEMBL4946505 0.86 GRB2 (0.47) NTSR2NTSR1SORT1GRB2NAA50
SCHEMBL4946515 0.86 GRB2 (0.47) NTSR2NTSR1SORT1GRB2NAA50
SCHEMBL30051457 0.86 DPP4 (0.46) NTSR2NTSR1SORT1GRB2CAPN1
SCHEMBL29462926 0.84 GRB2 (0.54) NTSR2NTSR1SORT1GRB2NAA50
SCHEMBL31276263 0.84 CAPN1 (0.51) NTSR2NTSR1SORT1CAPN1FNTA
SCHEMBL31717953 0.84 NTSR1 (0.56) NTSR2NTSR1SORT1
SCHEMBL30216522 0.83 XIAP (0.46) GRB2KMT2AFNTAFNTB

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
CN-113278049-B Selenium-rich flavor peptide separated from selenium-rich seaweed, preparation method and application 国民康健(北京)自然科学研究有限公司 2022-04-29 CN claimed
CN-113278049-B Selenium-rich flavor peptide separated from selenium-rich seaweed, preparation method and application 国民康健(北京)自然科学研究有限公司 2022-04-29 CN disclosed