SCHEMBL31307931

SCHEMBL31307931

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 1/20 0.53
▸ MAGI3 Q5TCQ9 1/20 0.53
▸ ERAP2 Q6P179 3/20 0.52
▸ EDNRA P25101 1/20 0.52
▸ MMP2 P08253 2/20 0.51
▸ MMP9 P14780 1/20 0.51
▸ MMP8 P22894 1/20 0.51
▸ MMP1 P03956 1/20 0.51
▸ ACE P12821 2/20 0.50
▸ CASP1 P29466 1/20 0.48
▸ CASP3 P42574 1/20 0.48
▸ CASP7 P55210 1/20 0.48
▸ GHSR Q92847 1/20 0.48
▸ IL1RN P18510 2/20 0.48
▸ ERAP1 Q9NZ08 1/20 0.48
▸ ECE1 P42892 4/20 0.47
▸ PRMT1 Q99873 1/20 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
SCHEMBL31307928 0.94 ERBB2 (0.54) ERBB2MAGI3ERAP2EDNRAMMP2
SCHEMBL31307925 0.94 ERBB2 (0.54) ERBB2MAGI3ERAP2EDNRAMMP2
SCHEMBL31307892 0.94 ERBB2 (0.54) ERBB2MAGI3ERAP2EDNRAMMP2
SCHEMBL31307895 0.93 ERBB2 (0.54) ERBB2MAGI3ERAP2EDNRAMMP2
SCHEMBL30452439 0.90 ACE (0.62) MAGI3ERAP2ACEECE1
SCHEMBL9822708 0.86 ACE (0.65) ERAP2MMP9MMP8ACEGHSR
SCHEMBL30051844 0.86 ACE (0.65) ERAP2MMP9MMP8ACEGHSR
SCHEMBL29679757 0.85 MAGI3 (0.52) MAGI3ERAP2ACEGHSRIL1RN
SCHEMBL31171653 0.85 CASP1 (0.58) ERBB2MAGI3ERAP2EDNRAMMP2
SCHEMBL31171654 0.84 ACE (0.59) ERAP2EDNRAMMP2MMP9MMP8

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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