SCHEMBL29437938

SCHEMBL29437938

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

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.61
▸ CTSB P07858 2/20 0.61
▸ DPP3 Q9NY33 5/20 0.58
▸ NTSR2 O95665 1/20 0.54
▸ NTSR1 P30989 1/20 0.54
▸ SORT1 Q99523 1/20 0.54
▸ ERAP2 Q6P179 1/20 0.54
▸ CXCR4 P61073 1/20 0.54
▸ CXCL8 P10145 5/20 0.52
▸ F13A1 P00488 1/20 0.50
▸ TGM2 P21980 1/20 0.50
▸ KISS1R Q969F8 1/20 0.50
▸ GNRHR P30968 1/20 0.50
▸ ABCC2 Q92887 1/20 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
SCHEMBL29437937 0.94 CAPN1 (0.63) CAPN1CTSBDPP3NTSR2NTSR1
SCHEMBL30477480 0.93 CAPN1 (0.65) CAPN1CTSBDPP3NTSR2NTSR1
SCHEMBL30224116 0.90 CAPN1 (0.64) CAPN1CTSBDPP3NTSR2NTSR1
SCHEMBL31357907 0.89 CAPN1 (0.57) CAPN1CTSBDPP3NTSR2NTSR1
SCHEMBL29437939 0.88 CAPN1 (0.60) CAPN1CTSBDPP3NTSR2NTSR1
SCHEMBL29713766 0.88 DPP3 (0.63) CAPN1CTSBDPP3NTSR2NTSR1
SCHEMBL29416081 0.88 DPP3 (0.58) CAPN1CTSBDPP3CXCR4CXCL8
SCHEMBL31499421 0.86 DPP3 (0.60) CAPN1CTSBDPP3NTSR2NTSR1
SCHEMBL29437935 0.85 DPP3 (0.58) CAPN1CTSBDPP3NTSR2NTSR1
SCHEMBL30413052 0.85 DPP3 (0.66) CAPN1CTSBDPP3ERAP2KISS1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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