SCHEMBL30440373

SCHEMBL30440373

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 1/20 0.56
▸ ACE P12821 2/20 0.56
▸ ERAP2 Q6P179 1/20 0.55
▸ MMP2 P08253 2/20 0.54
▸ MMP9 P14780 1/20 0.54
▸ MMP8 P22894 1/20 0.54
▸ MMP1 P03956 1/20 0.54
▸ OPRD1 P41143 3/20 0.53
▸ OPRM1 P35372 2/20 0.53
▸ GHSR Q92847 1/20 0.53
▸ ECE1 P42892 7/20 0.52
▸ CCKAR P32238 1/20 0.51
▸ CCKBR P32239 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MPO P05164 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ BLM P54132 1/20 0.51

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
SCHEMBL29828379 0.93 KDM4E (0.59) ACEERAP2MMP2MMP9MMP8
SCHEMBL29828735 0.93 KDM4E (0.59) ACEERAP2MMP2MMP9MMP8
SCHEMBL29828570 0.93 KDM4E (0.59) ACEERAP2MMP2MMP9MMP8
SCHEMBL29828273 0.93 KDM4E (0.59) ACEERAP2MMP2MMP9MMP8
SCHEMBL29828590 0.93 KDM4E (0.59) ACEERAP2MMP2MMP9MMP8
SCHEMBL14274549 0.93 KDM4E (0.59) ACEERAP2MMP2MMP9MMP8
SCHEMBL29829559 0.93 KDM4E (0.59) ACEERAP2MMP2MMP9MMP8
SCHEMBL30096995 0.93 KDM4E (0.59) ACEERAP2MMP2MMP9MMP8
SCHEMBL29828489 0.93 KDM4E (0.59) ACEERAP2MMP2MMP9MMP8
SCHEMBL29828711 0.93 KDM4E (0.59) ACEERAP2MMP2MMP9MMP8

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-116212041-A Pulmonary vascular endothelial cell targeted antioxidant peptide nano-composite and preparation method and application thereof 余姚市人民医院 2023-06-06 — — CN disclosed
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