SCHEMBL30279349

SCHEMBL30279349

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.51
▸ CTSK P43235 2/20 0.51
▸ BACE1 P56817 13/20 0.49
▸ TSHR P16473 1/20 0.49
▸ CTSL P07711 2/20 0.48
▸ CTSB P07858 1/20 0.48
▸ BACE2 Q9Y5Z0 1/20 0.46
▸ FNTA P49354 1/20 0.42
▸ FNTB P49356 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CAPN1 P07384 1/20 0.42

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
SCHEMBL28916820 1.00 CTSS (0.51) CTSSCTSKBACE1TSHRCTSL
SCHEMBL30131256 0.92 CTSS (0.48) CTSSCTSKBACE1TSHRCTSL
SCHEMBL28916807 0.92 BACE1 (0.49) CTSSCTSKBACE1CTSLCTSB
SCHEMBL30279370 0.92 BACE1 (0.49) CTSSCTSKBACE1CTSLCTSB
SCHEMBL30131263 0.90 CTSS (0.56) CTSSCTSKBACE1TSHRCTSL
SCHEMBL28916810 0.86 CTSS (0.49) CTSSCTSKBACE1CTSLCTSB
SCHEMBL30131335 0.86 CTSS (0.46) CTSSCTSKBACE1CTSLCTSB
SCHEMBL30131312 0.85 CTSS (0.53) CTSSCTSKBACE1TSHRCTSL
SCHEMBL30279337 0.84 REN (0.55) CTSSCTSKBACE1CTSLCTSB
SCHEMBL30402129 0.83 CTSS (0.64) CTSSCTSKBACE1TSHRBACE2

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-115477685-A Application of selenium-containing polypeptide compound in preparation of antibacterial drugs 浙江工业大学 2022-12-16 — — CN disclosed
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