SCHEMBL8149690

SCHEMBL8149690

CC(CC(=O)OC(C)(C)C)C[C@@H](N)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.47
SLC1A2 P43004 7/20 0.43
SLC1A1 P43005 7/20 0.43
SLC1A3 P43003 6/20 0.43
GRIK1 P39086 9/20 0.41
CYP2D6 P10635 1/20 0.40
GRIK2 Q13002 5/20 0.39
GRIA2 P42262 2/20 0.39
GRIA4 P48058 2/20 0.39
GRIK3 Q13003 2/20 0.39
GRIK5 Q16478 2/20 0.39
GRIA1 P42261 1/20 0.39

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
SCHEMBL3600281 1.00 SLC7A5 (0.47) SLC7A5SLC1A2SLC1A1SLC1A3GRIK1
Water SCHEMBL5802437 0.98 SLC7A5 (0.46) SLC7A5SLC1A2SLC1A1SLC1A3GRIK1
Water SCHEMBL7949254 0.98 SLC7A5 (0.46) SLC7A5SLC1A2SLC1A1SLC1A3GRIK1
SCHEMBL10618085 0.90 SLC7A5 (0.39) SLC7A5SLC1A2SLC1A1SLC1A3GRIK1
SCHEMBL38111 0.87 GRIK1 (0.47) SLC7A5SLC1A2SLC1A1SLC1A3GRIK1
SCHEMBL2024581 0.87 GRIK1 (0.47) SLC7A5SLC1A2SLC1A1SLC1A3GRIK1
SCHEMBL38112 0.87 GRIK1 (0.47) SLC7A5SLC1A2SLC1A1SLC1A3GRIK1
SCHEMBL10620089 0.86 SLC7A5 (0.36) SLC7A5SLC1A2SLC1A1SLC1A3GRIK1
Methane SCHEMBL15302681 0.85 GRIK1 (0.46) SLC7A5SLC1A2SLC1A1SLC1A3GRIK1
Hydrochloric Acid SCHEMBL6361420 0.85 GRIK1 (0.46) SLC7A5SLC1A2SLC1A1SLC1A3GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120136948-A Cycloastragal derivative with activity of resisting methicillin-resistant staphylococcus aureus and preparation method thereof 山西医科大学 2025-06-13 CN disclosed
WO-2000001714-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 2000-01-13 WO disclosed
US-3971736-A HEXA- AND HEPTA-PEPTIDES, ANTIINFLAMMATORY, ANTIULCER, ANTIARTHRITIC MERCK & CO., INC. (US) 1976-07-27 US disclosed