SCHEMBL29437939

SCHEMBL29437939

CC(C)C[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)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 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.60
▸ CTSB P07858 2/20 0.60
▸ CXCR4 P61073 9/20 0.57
▸ DPP3 Q9NY33 5/20 0.56
▸ NTSR2 O95665 1/20 0.54
▸ NTSR1 P30989 1/20 0.54
▸ SORT1 Q99523 1/20 0.54
▸ KISS1R Q969F8 2/20 0.50

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
SCHEMBL30224116 0.96 CAPN1 (0.64) CAPN1CTSBCXCR4DPP3NTSR2
SCHEMBL29437935 0.96 DPP3 (0.58) CAPN1CTSBCXCR4DPP3NTSR2
SCHEMBL29437937 0.94 CAPN1 (0.63) CAPN1CTSBCXCR4DPP3NTSR2
SCHEMBL30477480 0.93 CAPN1 (0.65) CAPN1CTSBCXCR4DPP3NTSR2
SCHEMBL29416081 0.88 DPP3 (0.58) CAPN1CTSBCXCR4DPP3KISS1R
SCHEMBL29437938 0.88 CAPN1 (0.61) CAPN1CTSBCXCR4DPP3NTSR2
SCHEMBL29555002 0.87 CAPN1 (0.54) CAPN1CTSBCXCR4DPP3
SCHEMBL29713766 0.86 DPP3 (0.63) CAPN1CTSBDPP3NTSR2NTSR1
SCHEMBL30442994 0.86 DPP3 (0.56) CAPN1CTSBCXCR4DPP3NTSR2
SCHEMBL29575470 0.86 DPP3 (0.61) CAPN1CTSBDPP3NTSR2NTSR1

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 3 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 disclosed
WO-2023013755-A1 CANCER PEPTIDE VACCINE COCKTAIL FORMULATION AMD METHOD FOR PRODUCING SAME ブライトパス・バイオ株式会社 2023-02-09 — — WO disclosed
WO-2022025093-A1 CANCER PEPTIDE VACCINE AND METHOD FOR PRODUCING SAME ブライトパス・バイオ株式会社 2022-02-03 — — WO disclosed
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