SCHEMBL30477480

SCHEMBL30477480

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.65
▸ CTSB P07858 2/20 0.65
▸ DPP3 Q9NY33 5/20 0.55
▸ CXCR4 P61073 1/20 0.53
▸ NTSR2 O95665 1/20 0.53
▸ NTSR1 P30989 1/20 0.53
▸ SORT1 Q99523 1/20 0.53
▸ CXCL8 P10145 5/20 0.51
▸ KISS1R Q969F8 3/20 0.50
▸ ABCC2 Q92887 1/20 0.48
▸ GNRHR P30968 1/20 0.48

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
SCHEMBL29437937 0.99 CAPN1 (0.63) CAPN1CTSBDPP3CXCR4NTSR2
SCHEMBL30224116 0.94 CAPN1 (0.64) CAPN1CTSBDPP3CXCR4NTSR2
SCHEMBL29437939 0.93 CAPN1 (0.60) CAPN1CTSBDPP3CXCR4NTSR2
SCHEMBL29437938 0.93 CAPN1 (0.61) CAPN1CTSBDPP3CXCR4NTSR2
SCHEMBL29437935 0.90 DPP3 (0.58) CAPN1CTSBDPP3CXCR4NTSR2
SCHEMBL29555002 0.86 CAPN1 (0.54) CAPN1CTSBDPP3CXCR4
SCHEMBL31357907 0.85 CAPN1 (0.57) CAPN1CTSBDPP3CXCR4NTSR2
SCHEMBL31499421 0.84 DPP3 (0.60) CAPN1CTSBDPP3NTSR2NTSR1
SCHEMBL29416081 0.84 DPP3 (0.58) CAPN1CTSBDPP3CXCR4CXCL8
SCHEMBL30974182 0.83 NTSR2 (0.70) CAPN1CTSBDPP3CXCR4NTSR2

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-116261450-A Cancer peptide vaccine and preparation method thereof 亮径生物疗法有限公司 2023-06-13 — — CN claimed
CN-116261450-A Cancer peptide vaccine and preparation method thereof 亮径生物疗法有限公司 2023-06-13 — — CN disclosed
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