SCHEMBL30131333

SCHEMBL30131333

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

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 3/20 0.54
▸ CTSK P43235 3/20 0.54
▸ CA2 P00918 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ ATM Q13315 1/20 0.39
▸ BACE1 P56817 7/20 0.39
▸ REN P00797 1/20 0.39
▸ CTSL P07711 1/20 0.38
▸ CTSB P07858 1/20 0.38

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
SCHEMBL30131296 0.90 CTSS (0.50) CTSSCTSKCA2TSHRKMT2A
SCHEMBL30131263 0.88 CTSS (0.56) CTSSCTSKCA2TSHRBACE1
SCHEMBL28916820 0.79 CTSS (0.51) CTSSCTSKCA2TSHRBACE1
SCHEMBL30279349 0.79 CTSS (0.51) CTSSCTSKCA2TSHRBACE1
SCHEMBL30131312 0.79 CTSS (0.53) CTSSCTSKCA2TSHRBACE1
SCHEMBL30131264 0.78 FNTA (0.43) CA2
SCHEMBL9611898 0.78 CTSS (0.74) CTSSCTSKCA2TSHRBACE1
SCHEMBL10606688 0.78 CTSS (0.74) CTSSCTSKCA2TSHRBACE1
SCHEMBL28916810 0.78 CTSS (0.49) CTSSCTSKCA2BACE1REN
SCHEMBL478905 0.78 CTSS (0.68) CTSSCTSKCA2TSHR

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-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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