SCHEMBL30131335

SCHEMBL30131335

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)OC

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.46
▸ CTSK P43235 2/20 0.46
▸ CTSD P07339 3/20 0.45
▸ REN P00797 1/20 0.45
▸ BACE1 P56817 7/20 0.43
▸ CTSL P07711 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ CAPN1 P07384 1/20 0.41
▸ PSENEN Q9NZ42 1/20 0.41
▸ CA2 P00918 1/20 0.40
▸ BACE2 Q9Y5Z0 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
SCHEMBL30131256 0.92 CTSS (0.48) CTSSCTSKCTSDRENBACE1
SCHEMBL28916807 0.92 BACE1 (0.49) CTSSCTSKCTSDRENBACE1
SCHEMBL30279370 0.92 BACE1 (0.49) CTSSCTSKCTSDRENBACE1
SCHEMBL28916810 0.88 CTSS (0.49) CTSSCTSKRENBACE1CTSL
SCHEMBL30131312 0.88 CTSS (0.53) CTSSCTSKRENBACE1CTSL
SCHEMBL28916820 0.86 CTSS (0.51) CTSSCTSKBACE1CTSLCTSB
SCHEMBL30279349 0.86 CTSS (0.51) CTSSCTSKBACE1CTSLCTSB
SCHEMBL23743087 0.84 CTSS (0.56) CTSSCTSKCTSDRENBACE1
SCHEMBL22636065 0.84 CTSS (0.56) CTSSCTSKCTSDRENBACE1
SCHEMBL22636067 0.84 CTSS (0.56) CTSSCTSKCTSDRENBACE1

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
Send feedback