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Sugi Predict / Compounds / SCHEMBL31452912

SCHEMBL31452912

SCHEMBL31452912

CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 9/20 0.64
▸ CCKBR P32239 4/20 0.64
▸ CXCR4 P61073 3/20 0.62
▸ CALCR P30988 4/20 0.61
▸ C5AR1 P21730 2/20 0.61
▸ GCGR P47871 4/20 0.59
▸ GIPR P48546 1/20 0.58
▸ KEAP1 Q14145 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
SCHEMBL31182675 0.90 CALCR (0.65) GLP1RCCKBRCXCR4CALCRC5AR1
SCHEMBL31295729 0.89 NMBR (0.63) GLP1RCCKBRCXCR4CALCRC5AR1
SCHEMBL30571153 0.89 NMBR (0.65) GLP1RCCKBRCXCR4CALCRC5AR1
SCHEMBL31757090 0.89 C5AR1 (0.67) GLP1RCXCR4C5AR1GCGRGIPR
SCHEMBL30261974 0.88 CALCR (0.63) GLP1RCCKBRCXCR4CALCRC5AR1
SCHEMBL29416113 0.88 CXCR4 (0.63) GLP1RCCKBRCXCR4CALCRC5AR1
SCHEMBL29588523 0.88 CALCR (0.68) GLP1RCCKBRCXCR4CALCRGCGR
SCHEMBL30429341 0.88 GLP1R (0.68) GLP1RCXCR4C5AR1GCGRGIPR
SCHEMBL30658362 0.88 NMBR (0.65) GLP1RCCKBRCALCRC5AR1GCGR
SCHEMBL29390561 0.88 C5AR1 (0.67) GLP1RCCKBRCXCR4C5AR1GCGR

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-119751581-A Cyclic peptide molecule of specific targeting EphA2 and application thereof in preparation of tumor diagnosis reagent or tumor treatment drug 上海交通大学 2025-04-04 — — CN claimed
CN-119751581-A Cyclic peptide molecule of specific targeting EphA2 and application thereof in preparation of tumor diagnosis reagent or tumor treatment drug 上海交通大学 2025-04-04 — — CN disclosed
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