SCHEMBL30131263

SCHEMBL30131263

CSCC[C@H](N[Se]C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 3/20 0.56
▸ CTSK P43235 3/20 0.56
▸ CTSL P07711 2/20 0.54
▸ CTSB P07858 1/20 0.54
▸ CAPN1 P07384 1/20 0.48
▸ CA2 P00918 1/20 0.46
▸ BACE1 P56817 9/20 0.44
▸ TSHR P16473 1/20 0.43
▸ REN P00797 1/20 0.41
▸ BACE2 Q9Y5Z0 1/20 0.41
▸ FOLH1 Q04609 1/20 0.40
▸ AAK1 Q2M2I8 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
SCHEMBL30131312 0.91 CTSS (0.53) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL28916820 0.90 CTSS (0.51) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL30279349 0.90 CTSS (0.51) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL30131333 0.88 CTSS (0.54) CTSSCTSKCTSLCTSBCA2
SCHEMBL30131256 0.88 CTSS (0.48) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL28916810 0.87 CTSS (0.49) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL30279337 0.87 REN (0.55) CTSSCTSKCTSLCTSBBACE1
SCHEMBL30279370 0.86 BACE1 (0.49) CTSSCTSKCTSLCTSBBACE1
SCHEMBL28916807 0.86 BACE1 (0.49) CTSSCTSKCTSLCTSBBACE1
SCHEMBL7315478 0.84 CTSS (0.59) CTSSCTSKCTSLCTSBCAPN1

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-115919995-A Application of polypeptide containing methionine in preparing antioxidant medicine 浙江工业大学 2023-04-07 — — CN disclosed
CN-115477685-A Application of selenium-containing polypeptide compound in preparation of antibacterial drugs 浙江工业大学 2022-12-16 — — CN disclosed
CN-115475228-A Application of oligopeptide containing L-selenomethionine in preparation of antitumor drugs 浙江工业大学 2022-12-16 — — CN disclosed
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