Sugi Predict

Sugi Predict / Compounds / SCHEMBL30917323

SCHEMBL30917323

SCHEMBL30917323

C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 11/20 0.56
▸ CTSL P07711 3/20 0.55
▸ CTSS P25774 3/20 0.55
▸ CTSK P43235 3/20 0.55
▸ CTSH P09668 1/20 0.54
▸ IL23R Q5VWK5 4/20 0.54
▸ C5AR1 P21730 1/20 0.52

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
SCHEMBL29966075 0.88 CXCR4 (0.65) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL29966276 0.88 CXCR4 (0.65) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL29966255 0.88 CXCR4 (0.65) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL29966029 0.88 CXCR4 (0.65) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL29851115 0.88 CXCR4 (0.60) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL31332562 0.88 CXCR4 (0.60) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL31065167 0.87 C5AR1 (0.62) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL31561788 0.86 CXCR4 (0.60) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL30603101 0.85 CXCR4 (0.61) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL29965711 0.85 CXCR4 (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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118141707-A Composition for filling and plumping skin and preparation method and application thereof 华泽睿孚生物技术(广州)有限公司 2024-06-07 — — CN claimed
CN-118141707-B Composition for filling and plumping skin and preparation method and application thereof 华泽睿孚生物技术(广州)有限公司 2024-09-24 — — CN disclosed
CN-118141707-A Composition for filling and plumping skin and preparation method and application thereof 华泽睿孚生物技术(广州)有限公司 2024-06-07 — — CN disclosed
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