SCHEMBL30131296

SCHEMBL30131296

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.50
▸ CTSK P43235 1/20 0.50
▸ CA2 P00918 1/20 0.43
▸ POLB P06746 1/20 0.41
▸ KMT2A Q03164 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ REN P00797 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CYP2C9 P11712 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ GLS O94925 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RECQL P46063 1/20 0.36

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
SCHEMBL30131333 0.90 CTSS (0.54) CTSSCTSKCA2POLBKMT2A
SCHEMBL30131312 0.89 CTSS (0.53) CTSSCTSKCA2BACE1REN
SCHEMBL28916810 0.83 CTSS (0.49) CTSSCTSKCA2BACE1REN
SCHEMBL30279370 0.80 BACE1 (0.49) CTSSCTSKBACE1REN
SCHEMBL28916807 0.80 BACE1 (0.49) CTSSCTSKBACE1REN
SCHEMBL30131263 0.79 CTSS (0.56) CTSSCTSKCA2BACE1REN
SCHEMBL294929 0.78 CTSS (0.63) CTSSCTSKCA2KMT2ATSHR
SCHEMBL478758 0.78 CTSS (0.63) CTSSCTSKCA2KMT2ATSHR
SCHEMBL14301283 0.78 CTSS (0.63) CTSSCTSKCA2KMT2ATSHR
SCHEMBL30064525 0.78 CTSS (0.56) CTSSCTSKCA2POLBKMT2A

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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