SCHEMBL6605878

SCHEMBL6605878

CCCC[C@H](NC(=O)O)C(=O)C(=O)NCc1ccncc1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.71
LMNA P02545 3/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
RAB9A P51151 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.44

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
SCHEMBL6605883 1.00 CTSK (0.71) CTSKLMNAMAPTMAPK1L3MBTL1
SCHEMBL6602953 0.86 CTSK (0.73) CTSKLMNAMAPTL3MBTL1HTT
SCHEMBL6602938 0.86 CTSK (0.73) CTSKLMNAMAPTL3MBTL1HTT
SCHEMBL14943763 0.79 LMNA (0.58) CTSKLMNAMAPTMAPK1L3MBTL1
SCHEMBL12518046 0.77 CTSK (0.54) CTSKL3MBTL1ALDH1A1
SCHEMBL12401725 0.76 RAB9A (0.57) CTSKLMNAMAPTMAPK1L3MBTL1
SCHEMBL23835832 0.73 HTT (0.59) CTSKLMNAMAPTMAPK1L3MBTL1
SCHEMBL10352586 0.72 LMNA (0.63) CTSKLMNAMAPTMAPK1RAB9A
SCHEMBL4317649 0.72 CTSK (0.71) CTSK
SCHEMBL6604125 0.72 CTSK (0.71) CTSKRAB9AHTTSMN1; SMN2ALDH1A1

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
EP-1411933-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS SmithKline Beecham Corporation (US) 2004-04-28 EP disclosed
WO-2003013518-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-02-20 WO disclosed