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Sugi Predict / Compounds / SCHEMBL29555002

SCHEMBL29555002

SCHEMBL29555002

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

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.54
▸ CTSB P07858 2/20 0.54
▸ CALCRL Q16602 3/20 0.52
▸ CXCR4 P61073 6/20 0.51
▸ RAMP1 O60894 1/20 0.49
▸ DPP3 Q9NY33 3/20 0.48
▸ GLP1R P43220 6/20 0.47
▸ GIPR P48546 6/20 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
SCHEMBL30224116 0.88 CAPN1 (0.64) CAPN1CTSBCXCR4DPP3
SCHEMBL29437939 0.87 CAPN1 (0.60) CAPN1CTSBCXCR4DPP3
SCHEMBL30442994 0.87 DPP3 (0.56) CAPN1CTSBCALCRLCXCR4DPP3
SCHEMBL29437937 0.86 CAPN1 (0.63) CAPN1CTSBCXCR4DPP3
SCHEMBL30477480 0.86 CAPN1 (0.65) CAPN1CTSBCXCR4DPP3
SCHEMBL30843899 0.86 CXCR4 (0.63) CXCR4GLP1RGIPR
SCHEMBL30403555 0.85 CALCRL (0.49) CAPN1CTSBCALCRLRAMP1
SCHEMBL31058453 0.85 GLP1R (0.55) GLP1RGIPR
SCHEMBL29437935 0.84 DPP3 (0.58) CAPN1CTSBCXCR4DPP3
SCHEMBL31058451 0.84 CXCR4 (0.52) CAPN1CTSBCXCR4GLP1RGIPR

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
CN-114292311-B Pancreatic lipase inhibitory peptide and application thereof 华南理工大学 2023-05-12 — — CN claimed
CN-114292311-A Pancreatic lipase inhibitory peptide and application thereof 华南理工大学 2022-04-08 — — CN claimed
CN-114292311-B Pancreatic lipase inhibitory peptide and application thereof 华南理工大学 2023-05-12 — — CN disclosed
CN-114292311-B Pancreatic lipase inhibitory peptide and application thereof 华南理工大学 2023-05-12 — — CN disclosed
CN-114292311-A Pancreatic lipase inhibitory peptide and application thereof 华南理工大学 2022-04-08 — — CN disclosed
CN-114292311-A Pancreatic lipase inhibitory peptide and application thereof 华南理工大学 2022-04-08 — — CN disclosed
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