Sugi Predict

Sugi Predict / Compounds / SCHEMBL29842340

SCHEMBL29842340

SCHEMBL29842340

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

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 15/20 0.64
▸ CTSL P07711 3/20 0.57
▸ CTSS P25774 3/20 0.57
▸ CTSK P43235 3/20 0.57
▸ CTSH P09668 1/20 0.57
▸ CXCL8 P10145 2/20 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
SCHEMBL29978571 0.89 CXCR4 (0.59) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL30307184 0.86 CXCR4 (0.56) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL30808876 0.86 CTSL (0.57) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL30275583 0.85 CXCR4 (0.62) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL31556101 0.85 CXCR4 (0.64) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL31607206 0.85 CXCR4 (0.61) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL29380582 0.84 CXCR4 (0.64) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL7326493 0.84 CXCR4 (0.68) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL6041189 0.84 CXCR4 (0.61) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL30381291 0.84 KISS1R (0.56) CXCR4CTSLCTSSCTSKCTSH

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-113005166-B Cod polypeptide with xanthine oxidase inhibitory activity 中国海洋大学 2022-08-16 — — CN claimed
CN-113005166-B Cod polypeptide with xanthine oxidase inhibitory activity 中国海洋大学 2022-08-16 — — CN disclosed
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