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Sugi Predict / Compounds / SCHEMBL30690062

SCHEMBL30690062

SCHEMBL30690062

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

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.59
▸ CTSB P07858 2/20 0.59
▸ CXCL8 P10145 10/20 0.54
▸ DPP3 Q9NY33 2/20 0.51
▸ CXCR4 P61073 2/20 0.50
▸ NTSR1 P30989 2/20 0.49
▸ NTSR2 O95665 1/20 0.49
▸ SORT1 Q99523 1/20 0.49
▸ KISS1R Q969F8 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48

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
SCHEMBL31247506 0.96 CAPN1 (0.63) CAPN1CTSBCXCL8CXCR4KISS1R
SCHEMBL30690108 0.96 CAPN1 (0.59) CAPN1CTSBCXCL8DPP3CXCR4
SCHEMBL30690107 0.96 CAPN1 (0.59) CAPN1CTSBCXCL8DPP3CXCR4
SCHEMBL30690087 0.94 CAPN1 (0.57) CAPN1CTSBCXCL8DPP3CXCR4
SCHEMBL30209475 0.93 DPP3 (0.55) CAPN1CTSBCXCL8DPP3NTSR1
SCHEMBL30690109 0.93 CXCL8 (0.58) CAPN1CTSBCXCL8DPP3CXCR4
SCHEMBL30690070 0.92 CAPN1 (0.57) CAPN1CTSBCXCL8DPP3CXCR4
SCHEMBL31247508 0.92 CXCL8 (0.55) CAPN1CTSBCXCL8DPP3MEN1
SCHEMBL31247492 0.92 CAPN1 (0.63) CAPN1CTSBCXCL8CXCR4KISS1R
SCHEMBL31247447 0.92 CAPN1 (0.63) CAPN1CTSBCXCL8CXCR4KISS1R

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 6 patents. 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 claimed
CN-117903233-A Lysate, application thereof and preparation method of polypeptide 杭州禾泰健宇生物科技有限公司 2024-04-19 — — CN claimed
CN-117247427-A Peptide compound, composition and application thereof 杭州禾泰健宇生物科技有限公司 2023-12-19 — — CN claimed
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
CN-117247427-B Peptide compound, composition and application thereof 杭州禾泰健宇生物科技有限公司 2024-08-23 — — CN disclosed
CN-117903233-A Lysate, application thereof and preparation method of polypeptide 杭州禾泰健宇生物科技有限公司 2024-04-19 — — CN disclosed
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