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Sugi Predict / Compounds / SCHEMBL30957809

SCHEMBL30957809

SCHEMBL30957809

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 14/20 0.61
▸ KEAP1 Q14145 1/20 0.60
▸ TLR2 O60603 3/20 0.59
▸ PTH1R Q03431 2/20 0.58
▸ GCGR P47871 1/20 0.58
▸ GIPR P48546 1/20 0.58

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
SCHEMBL30576939 0.94 PTH1R (0.65) GLP1RKEAP1PTH1RGCGRGIPR
SCHEMBL30262019 0.93 GLP1R (0.59) GLP1RKEAP1TLR2GCGRGIPR
SCHEMBL31182479 0.91 GLP1R (0.57) GLP1RKEAP1PTH1RGCGRGIPR
SCHEMBL29554599 0.91 GLP1R (0.71) GLP1R
SCHEMBL29972972 0.91 GLP1R (0.69) GLP1R
SCHEMBL30128832 0.91 GLP1R (0.71) GLP1R
SCHEMBL30592948 0.91 GLP1R (0.71) GLP1R
SCHEMBL30605039 0.90 GLP1R (0.69) GLP1R
SCHEMBL30859279 0.90 GLP1R (0.64) GLP1RPTH1RGCGRGIPR
SCHEMBL30804687 0.89 GLP1R (0.66) GLP1RKEAP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118255858-A Polypeptide LVTX-VI and application thereof 深圳市小分子新药创新中心有限公司 2024-06-28 — — CN disclosed
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