SCHEMBL28916807

SCHEMBL28916807

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 11/20 0.49
▸ CTSS P25774 2/20 0.48
▸ CTSK P43235 2/20 0.48
▸ CTSL P07711 1/20 0.45
▸ CTSB P07858 1/20 0.45
▸ BACE2 Q9Y5Z0 1/20 0.44
▸ PSEN1 P49768 4/20 0.44
▸ PSEN2 P49810 4/20 0.44
▸ APH1B Q8WW43 4/20 0.44
▸ NCSTN Q92542 4/20 0.44
▸ APH1A Q96BI3 4/20 0.44
▸ PSENEN Q9NZ42 4/20 0.44
▸ CTSD P07339 3/20 0.43
▸ REN P00797 1/20 0.43

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
SCHEMBL30279370 1.00 BACE1 (0.49) BACE1CTSSCTSKCTSLCTSB
SCHEMBL30131335 0.92 CTSS (0.46) BACE1CTSSCTSKCTSLCTSB
SCHEMBL30279349 0.92 CTSS (0.51) BACE1CTSSCTSKCTSLCTSB
SCHEMBL28916820 0.92 CTSS (0.51) BACE1CTSSCTSKCTSLCTSB
SCHEMBL28916810 0.91 CTSS (0.49) BACE1CTSSCTSKCTSLCTSB
SCHEMBL30131312 0.91 CTSS (0.53) BACE1CTSSCTSKCTSLCTSB
SCHEMBL30131256 0.86 CTSS (0.48) BACE1CTSSCTSKCTSLCTSB
SCHEMBL30131263 0.86 CTSS (0.56) BACE1CTSSCTSKCTSLCTSB
SCHEMBL30279318 0.83 REN (0.55) BACE1CTSSCTSKCTSLCTSB
SCHEMBL10787770 0.80 CTSS (0.55) BACE1CTSSCTSKCTSLCTSB

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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