SCHEMBL19944837

SCHEMBL19944837

C=CCOC(=O)CNC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 2/20 0.46
▸ CTSK P43235 7/20 0.45
▸ SYK P43405 1/20 0.43
▸ PSMB8 P28062 1/20 0.43
▸ PSMB9 P28065 1/20 0.43
▸ CTSS P25774 7/20 0.43
▸ CTSL P07711 5/20 0.43
▸ CTSB P07858 3/20 0.43
▸ BCHE P06276 2/20 0.43
▸ ACHE P22303 2/20 0.43
▸ CACNA1F O60840 1/20 0.43
▸ CACNA1D Q01668 1/20 0.43
▸ CACNA1S Q13698 1/20 0.43
▸ CACNA1C Q13936 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL13471019 0.92 CASP3 (0.46) SYKCTSSCTSLCTSBBCHE
SCHEMBL8722981 0.84 CTSK (0.53) PSMB5CTSKSYKPSMB8PSMB9
SCHEMBL30999385 0.84 CTSK (0.53) PSMB5CTSKSYKPSMB8PSMB9
SCHEMBL31360618 0.84 CTSK (0.43) PSMB5CTSKSYKCTSSCTSL
SCHEMBL29813236 0.83 CTSK (0.53) PSMB5CTSKSYKPSMB8PSMB9
SCHEMBL19944839 0.83 NMBR (0.59) CTSKCTSSCTSL
SCHEMBL30999344 0.82 PSMB5 (0.51) PSMB5CTSKSYKCTSSCTSL
SCHEMBL19944560 0.81 ECE1 (0.50) PSMB5CTSKSYKCTSB
SCHEMBL31119164 0.81 REN (0.55) PSMB5CTSKSYKCTSSCTSL
SCHEMBL7887054 0.81 CASP3 (0.51) PSMB5CTSKCTSB

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
EP-2697246-B1 SELECTIVE CYSTEINE PROTEASE INHIBITORS AND USES THEREOF GENESIS TECH LIMITED (BB) 2018-03-07 — — EP disclosed
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