SCHEMBL30307496

SCHEMBL30307496

CC(C)[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)O)C(C)C)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRB2 P62993 1/20 0.48
▸ CALCRL Q16602 3/20 0.44
▸ XIAP P98170 1/20 0.44
▸ DPP3 Q9NY33 3/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ NTSR2 O95665 1/20 0.42
▸ NTSR1 P30989 1/20 0.42
▸ CTSD P07339 1/20 0.42
▸ BACE1 P56817 1/20 0.42
▸ ANPEP P15144 1/20 0.41
▸ LNPEP Q9UIQ6 1/20 0.41
▸ CMA1 P23946 2/20 0.41
▸ STAT3 P40763 1/20 0.40
▸ REN P00797 1/20 0.40
▸ AGTR1 P30556 1/20 0.40
▸ AGTR2 P50052 1/20 0.40

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
SCHEMBL30150546 0.90 GRB2 (0.52) GRB2CALCRLXIAPDPP3SLC6A2
SCHEMBL30456650 0.86 GRB2 (0.49) GRB2XIAPDPP3NTSR2NTSR1
SCHEMBL6524705 0.86 BACE1 (0.48) GRB2CALCRLXIAPSLC6A2NTSR2
SCHEMBL30341674 0.85 SLC6A2 (0.48) GRB2CALCRLSLC6A2NTSR2NTSR1
SCHEMBL29740486 0.85 CAPN1 (0.47) GRB2XIAPDPP3NTSR2NTSR1
SCHEMBL17866830 0.85 CAPN1 (0.47) GRB2XIAPDPP3NTSR2NTSR1
SCHEMBL17866832 0.85 CAPN1 (0.47) GRB2XIAPDPP3NTSR2NTSR1
SCHEMBL7401470 0.85 CALCRL (0.48) GRB2CALCRLSLC6A2CTSDBACE1
SCHEMBL30368248 0.84 CALCRL (0.49) GRB2CALCRLSLC6A2STAT3
SCHEMBL29377895 0.84 GRB2 (0.50) GRB2XIAPDPP3NTSR2NTSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115838396-A Tea-oil seed cake ACE inhibitory peptide and application thereof 浙江农林大学 2023-03-24 — — CN claimed
CN-115838396-B Tea seed cake ACE (angiotensin converting enzyme) inhibitory peptide and application thereof 浙江农林大学 2025-08-15 — — CN disclosed
CN-115838396-A Tea-oil seed cake ACE inhibitory peptide and application thereof 浙江农林大学 2023-03-24 — — CN disclosed
CN-115838396-A Tea-oil seed cake ACE inhibitory peptide and application thereof 浙江农林大学 2023-03-24 — — CN disclosed
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