Sugi Predict

Sugi Predict / Compounds / SCHEMBL30690106

SCHEMBL30690106

SCHEMBL30690106

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

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CXCL8 P10145 10/20 0.52
▸ CAPN1 P07384 2/20 0.51
▸ CTSB P07858 2/20 0.51
▸ DPP3 Q9NY33 3/20 0.49
▸ F13A1 P00488 1/20 0.48
▸ TGM2 P21980 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ CXCR4 P61073 1/20 0.47
▸ GLP1R P43220 1/20 0.47

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
SCHEMBL31247476 0.96 CAPN1 (0.54) CXCL8CAPN1CTSBDPP3CXCR4
SCHEMBL31247508 0.96 CXCL8 (0.55) CXCL8CAPN1CTSBDPP3MEN1
SCHEMBL31247325 0.94 CXCL8 (0.56) CXCL8CAPN1CTSBDPP3MEN1
SCHEMBL30690108 0.93 CAPN1 (0.59) CXCL8CAPN1CTSBDPP3MEN1
SCHEMBL30690107 0.93 CAPN1 (0.59) CXCL8CAPN1CTSBDPP3MEN1
SCHEMBL31247348 0.92 CAPN1 (0.57) CXCL8CAPN1CTSBDPP3CXCR4
SCHEMBL30690087 0.91 CAPN1 (0.57) CXCL8CAPN1CTSBDPP3CXCR4
SCHEMBL30690109 0.91 CXCL8 (0.58) CXCL8CAPN1CTSBDPP3CXCR4
SCHEMBL31247502 0.91 CXCL8 (0.54) CXCL8CAPN1CTSBDPP3CXCR4
SCHEMBL30690070 0.90 CAPN1 (0.57) CXCL8CAPN1CTSBDPP3CXCR4

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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