SCHEMBL30131256

SCHEMBL30131256

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

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 3/20 0.48
▸ CTSK P43235 3/20 0.48
▸ CTSL P07711 1/20 0.46
▸ CTSB P07858 1/20 0.46
▸ BACE1 P56817 10/20 0.44
▸ CAPN1 P07384 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ BACE2 Q9Y5Z0 1/20 0.41
▸ CTSD P07339 3/20 0.41
▸ REN P00797 1/20 0.40
▸ CA2 P00918 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
SCHEMBL30131335 0.92 CTSS (0.46) CTSSCTSKCTSLCTSBBACE1
SCHEMBL28916820 0.92 CTSS (0.51) CTSSCTSKCTSLCTSBBACE1
SCHEMBL30279349 0.92 CTSS (0.51) CTSSCTSKCTSLCTSBBACE1
SCHEMBL30131263 0.88 CTSS (0.56) CTSSCTSKCTSLCTSBBACE1
SCHEMBL28916807 0.86 BACE1 (0.49) CTSSCTSKCTSLCTSBBACE1
SCHEMBL30279370 0.86 BACE1 (0.49) CTSSCTSKCTSLCTSBBACE1
SCHEMBL22648530 0.84 CTSS (0.60) CTSSCTSKBACE1TSHRBACE2
SCHEMBL28916810 0.84 CTSS (0.49) CTSSCTSKCTSLCTSBBACE1
SCHEMBL30131312 0.83 CTSS (0.53) CTSSCTSKCTSLCTSBBACE1
SCHEMBL30131289 0.82 ENPEP (0.37) BACE1CTSD

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-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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