SCHEMBL31247502

SCHEMBL31247502

CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CXCL8 P10145 10/20 0.54
▸ CXCR4 P61073 3/20 0.52
▸ CTSL P07711 3/20 0.52
▸ CTSS P25774 3/20 0.52
▸ CTSK P43235 3/20 0.52
▸ CTSH P09668 1/20 0.52
▸ CAPN1 P07384 2/20 0.50
▸ CTSB P07858 2/20 0.50
▸ MC4R P32245 1/20 0.50
▸ MC5R P33032 1/20 0.50
▸ MC3R P41968 1/20 0.50
▸ MC1R Q01726 1/20 0.50
▸ DPP3 Q9NY33 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
SCHEMBL31247360 0.96 CTSL (0.56) CXCL8CXCR4CTSLCTSSCTSK
SCHEMBL30690100 0.95 CXCL8 (0.56) CXCL8CXCR4CTSLCTSSCTSK
SCHEMBL31247508 0.94 CXCL8 (0.55) CXCL8CTSLCTSSCTSKCTSH
SCHEMBL31247325 0.92 CXCL8 (0.56) CXCL8CXCR4CTSLCTSSCTSK
SCHEMBL30690108 0.92 CAPN1 (0.59) CXCL8CXCR4CAPN1CTSBDPP3
SCHEMBL30690107 0.92 CAPN1 (0.59) CXCL8CXCR4CAPN1CTSBDPP3
SCHEMBL31247321 0.91 CAPN1 (0.58) CXCL8CXCR4CTSLCTSSCTSK
SCHEMBL30690106 0.91 CXCL8 (0.52) CXCL8CXCR4CAPN1CTSBDPP3
SCHEMBL31247348 0.90 CAPN1 (0.57) CXCL8CXCR4CTSLCTSSCTSK
SCHEMBL30690087 0.90 CAPN1 (0.57) CXCL8CXCR4CAPN1CTSBDPP3

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-2024235070-A1 PEPTIDE COMPOUND, COMPOSITION AND USE THEREOF 杭州禾泰健宇生物科技有限公司 2024-11-21 — — WO disclosed
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