SCHEMBL30498685

SCHEMBL30498685

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(C)C)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 12/20 0.63
▸ CAPN1 P07384 2/20 0.59
▸ CTSB P07858 2/20 0.59
▸ NTSR2 O95665 1/20 0.56
▸ NTSR1 P30989 1/20 0.56
▸ SORT1 Q99523 1/20 0.56
▸ KISS1R Q969F8 3/20 0.53
▸ C5AR1 P21730 1/20 0.52
▸ CXCL8 P10145 1/20 0.51

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
SCHEMBL31607206 0.92 CXCR4 (0.61) CXCR4CAPN1CTSBNTSR2NTSR1
SCHEMBL31290071 0.91 CXCR4 (0.61) CXCR4CAPN1CTSBNTSR2NTSR1
SCHEMBL30608443 0.90 CXCR4 (0.60) CXCR4CAPN1CTSBNTSR2NTSR1
SCHEMBL5494984 0.89 CXCR4 (0.60) CXCR4CAPN1CTSBNTSR2NTSR1
SCHEMBL29380582 0.89 CXCR4 (0.64) CXCR4CAPN1CTSBNTSR2NTSR1
SCHEMBL38652302 0.88 CXCR4 (0.59) CXCR4CAPN1CTSBNTSR2NTSR1
SCHEMBL31005883 0.88 KISS1R (0.57) CXCR4CAPN1CTSBNTSR2NTSR1
SCHEMBL31506622 0.88 DPP3 (0.61) CXCR4CAPN1CTSBNTSR2NTSR1
SCHEMBL30307184 0.88 CXCR4 (0.56) CXCR4NTSR2NTSR1SORT1KISS1R
SCHEMBL6041189 0.87 CXCR4 (0.61) CXCR4CAPN1CTSBNTSR2NTSR1

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-116444609-B Milk active peptide LPPPLPSRWPL and preparation method and application thereof 内蒙古伊利实业集团股份有限公司 2024-06-04 — — CN disclosed
CN-116444609-A Milk active peptide LPPPLPSRWPL and preparation method and application thereof 内蒙古伊利实业集团股份有限公司 2023-07-18 — — CN disclosed
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