SCHEMBL4745227

SCHEMBL4745227

CC(C)(C)OC(=O)N[C@@H](CC(=O)O)c1ccc(C#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.48
CTSK P43235 9/20 0.48
EEF2K O00418 1/20 0.48
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
EGLN2 Q96KS0 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
HTT P42858 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGAV P06756 1/20 0.41
ITGB5 P18084 1/20 0.41
ITGB6 P18564 1/20 0.41
ITGB8 P26012 1/20 0.41

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
SCHEMBL1147765 1.00 CTSS (0.48) CTSSCTSKEEF2KKDM4EGAA
SCHEMBL28008559 1.00 CTSS (0.48) CTSSCTSKEEF2KKDM4EGAA
SCHEMBL16680854 0.87 CTSS (0.43) CTSSCTSKCTSLCTSB
SCHEMBL16680852 0.87 CTSS (0.43) CTSSCTSKCTSLCTSB
SCHEMBL14448530 0.87 CTSS (0.47) CTSSCTSKCTSLCTSBHTT
SCHEMBL321050 0.85 CTSS (0.50) CTSSCTSKEEF2KEGLN2EGLN1
SCHEMBL321049 0.85 CTSS (0.50) CTSSCTSKEEF2KEGLN2EGLN1
SCHEMBL4968810 0.85 CTSS (0.50) CTSSCTSKEEF2KEGLN2EGLN1
SCHEMBL3874575 0.84 CTSS (0.48) CTSSCTSK
SCHEMBL15654514 0.84 CYP26A1 (0.53)

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
WO-2008104752-A1 DIHYDROPYRIDONES AS ELASTASE INHIBITORS ASTRAZENECA AB (SE) 2008-09-04 WO disclosed