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Sugi Predict / Compounds / SCHEMBL30578713

SCHEMBL30578713

SCHEMBL30578713

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(C)C)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.73
▸ GLP1R P43220 14/20 0.66
▸ KEAP1 Q14145 1/20 0.63
▸ GCGR P47871 9/20 0.63
▸ GIPR P48546 6/20 0.63
▸ NPY1R P25929 1/20 0.62
▸ NPY2R P49146 1/20 0.62
▸ NPY4R P50391 1/20 0.62
▸ NPY5R Q15761 1/20 0.62
▸ F2 P00734 1/20 0.62

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
SCHEMBL30403572 0.92 GLP1R (0.73) C5AR1GLP1RGCGRNPY1RNPY2R
SCHEMBL29965030 0.92 C5AR1 (0.74) C5AR1GLP1RKEAP1GCGRNPY1R
SCHEMBL30801072 0.92 GLP1R (0.71) C5AR1GLP1RGCGRGIPRNPY1R
SCHEMBL31544061 0.91 C5AR1 (0.73) C5AR1GLP1RKEAP1GCGRGIPR
SCHEMBL30432050 0.91 KEAP1 (0.68) C5AR1GLP1RKEAP1GCGRGIPR
SCHEMBL31006727 0.90 C5AR1 (0.68) C5AR1GLP1RKEAP1GCGRGIPR
SCHEMBL29429574 0.90 GLP1R (0.69) C5AR1GLP1RGCGRGIPRNPY1R
SCHEMBL29548460 0.89 GLP1R (0.71) GLP1R
SCHEMBL30691823 0.89 GLP1R (0.71) GLP1R
SCHEMBL31402803 0.89 GLP1R (0.69) C5AR1GLP1RKEAP1GCGRNPY1R

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-116768982-A Polypeptide and application thereof in preparation of medicines for preventing and treating tumors 中国医学科学院医药生物技术研究所 2023-09-19 — — CN claimed
CN-116768982-A Polypeptide and application thereof in preparation of medicines for preventing and treating tumors 中国医学科学院医药生物技术研究所 2023-09-19 — — CN disclosed
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