SCHEMBL28539108

SCHEMBL28539108

C#CCOc1ccc(CC(C[C@H](N)C(=O)O)C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC1A1 P43005 2/20 0.58
▸ SLC1A3 P43003 1/20 0.58
▸ SLC1A2 P43004 1/20 0.58
▸ GRIK1 P39086 6/20 0.48
▸ GRIK2 Q13002 5/20 0.48
▸ ITGB3 P05106 1/20 0.47
▸ ITGA2B P08514 1/20 0.47
▸ PPARA Q07869 1/20 0.43
▸ PTPN1 P18031 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ GRM2 Q14416 1/20 0.41
▸ GRM3 Q14832 1/20 0.41
▸ SLC7A5 Q01650 2/20 0.41
▸ ALPI P09923 1/20 0.40
▸ PKM P14618 1/20 0.40

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
SCHEMBL28539110 1.00 SLC1A1 (0.58) SLC1A1SLC1A3SLC1A2GRIK1GRIK2
SCHEMBL229602 0.88 ITGB3 (0.59) ITGB3ITGA2BPPARAPTPN1CA12
SCHEMBL229603 0.88 ITGB3 (0.59) ITGB3ITGA2BPPARAPTPN1CA12
Hydrochloric Acid SCHEMBL230410 0.86 ITGB3 (0.58) ITGB3ITGA2BPPARAPTPN1CA12
Hydrochloric Acid SCHEMBL230409 0.86 ITGB3 (0.58) ITGB3ITGA2BPPARAPTPN1CA12
SCHEMBL29141465 0.83 ITGB3 (0.54) ITGB3ITGA2BPPARAPTPN1CA12
SCHEMBL13726623 0.82 SLC1A1 (0.63) SLC1A1SLC1A3SLC1A2GRIK1GRIK2
SCHEMBL16389273 0.82 SLC1A1 (0.63) SLC1A1SLC1A3SLC1A2GRIK1GRIK2
SCHEMBL16387576 0.82 SLC1A1 (0.63) SLC1A1SLC1A3SLC1A2GRIK1GRIK2
SCHEMBL16387575 0.82 SLC1A1 (0.63) SLC1A1SLC1A3SLC1A2GRIK1GRIK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115364240-B Polypeptide-based gating nanoparticle and preparation method and application thereof 苏州大学 2024-08-20 — — CN disclosed
CN-115364240-A Gate-controlled nanoparticle based on polypeptide and preparation method and application thereof 苏州大学 2022-11-22 — — CN disclosed
CN-111848975-B Phosphorylated protein, intracellular delivery system based on phosphorylated protein, preparation method and application 苏州大学 2022-07-19 — — CN disclosed
CN-111848975-A Phosphorylated protein, intracellular delivery system based on phosphorylated protein, preparation method and application 苏州大学 2020-10-30 — — CN disclosed
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