SCHEMBL31307925

SCHEMBL31307925

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

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 1/20 0.54
▸ MAGI3 Q5TCQ9 1/20 0.52
▸ ERAP2 Q6P179 2/20 0.51
▸ EDNRA P25101 1/20 0.51
▸ MMP2 P08253 2/20 0.50
▸ MMP9 P14780 1/20 0.50
▸ MMP8 P22894 1/20 0.50
▸ MMP1 P03956 1/20 0.50
▸ ACE P12821 2/20 0.49
▸ PRMT1 Q99873 1/20 0.48
▸ CASP1 P29466 1/20 0.48
▸ CASP3 P42574 1/20 0.48
▸ CASP7 P55210 1/20 0.48
▸ IL1RN P18510 1/20 0.47
▸ ERAP1 Q9NZ08 1/20 0.47
▸ ECE1 P42892 4/20 0.47
▸ GHSR Q92847 1/20 0.47
▸ OPRM1 P35372 1/20 0.46
▸ OPRD1 P41143 1/20 0.46

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
SCHEMBL31307892 1.00 ERBB2 (0.54) ERBB2MAGI3ERAP2EDNRAMMP2
SCHEMBL31307928 1.00 ERBB2 (0.54) ERBB2MAGI3ERAP2EDNRAMMP2
SCHEMBL31307895 0.95 ERBB2 (0.54) ERBB2MAGI3ERAP2EDNRAMMP2
SCHEMBL31307931 0.94 ERBB2 (0.53) ERBB2MAGI3ERAP2EDNRAMMP2
SCHEMBL10753338 0.88 ACE (0.62) ERAP2MMP9MMP8ACEECE1
SCHEMBL31039952 0.87 ACE (0.64) MAGI3ERAP2ACEECE1
SCHEMBL29828471 0.85 KDM4E (0.59) ERAP2MMP2MMP9MMP8MMP1
SCHEMBL29679757 0.85 MAGI3 (0.52) MAGI3ERAP2ACEIL1RNERAP1
SCHEMBL30810357 0.84 EDNRA (0.56) ERBB2ERAP2EDNRAMMP2MMP9
SCHEMBL29414401 0.84 ACE (0.62) ERAP2ACEECE1

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-118994357-A Small peptide and application thereof in preparation of medicines for treating cancers 上海市第十人民医院 2024-11-22 — — CN claimed
CN-118994357-A Small peptide and application thereof in preparation of medicines for treating cancers 上海市第十人民医院 2024-11-22 — — CN disclosed
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