SCHEMBL31388652

SCHEMBL31388652

CC(=O)CN(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.53
CTSB P07858 5/20 0.53
CTSS P25774 4/20 0.53
CTSL P07711 4/20 0.53
BACE1 P56817 3/20 0.51
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL30522100 0.94 CTSK (0.54) CTSKCTSBCTSSCTSLBACE1
SCHEMBL31388662 0.89 BACE1 (0.47) CTSKCTSBCTSSCTSLBACE1
SCHEMBL31388657 0.87 BACE1 (0.45) CTSKCTSBCTSSCTSLBACE1
SCHEMBL26010076 0.86 CTSK (0.47) CTSKCTSBCTSSCTSLBACE1
SCHEMBL29861007 0.83 BACE1 (0.46) CTSKCTSBCTSSCTSLBACE1
SCHEMBL29860813 0.82 CTSK (0.44) CTSKCTSBCTSSCTSLBACE1
SCHEMBL30277766 0.81 CTSK (0.52) CTSKCTSBCTSSCTSLBACE1
SCHEMBL30522071 0.81 BACE1 (0.44) CTSKCTSBCTSSCTSLBACE1
SCHEMBL30522083 0.78 PSMB5 (0.45) BACE1
SCHEMBL7378215 0.76 CTSL (0.66) CTSKCTSBCTSSCTSLMEN1

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-119143631-A Deprotection method for peptide compound or amide compound and resin removal method in solid phase reaction and method for producing peptide compound 中外制药株式会社 2024-12-17 CN disclosed