SCHEMBL9754187

SCHEMBL9754187

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)C=[N+]=[N-]

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.52
CTSS P25774 4/20 0.52
CTSL P07711 3/20 0.52
CTSB P07858 2/20 0.52
CAPN1 P07384 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
AAK1 Q2M2I8 1/20 0.42
CTSC P53634 1/20 0.39
MAP1LC3B Q9GZQ8 1/20 0.38
MAP1LC3A Q9H492 1/20 0.38
REN P00797 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL10620080 0.85 CTSL (0.52) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL18428130 0.83 CTSK (0.42) CTSKCTSSCTSLCTSBCA1
SCHEMBL28511485 0.83 CYP2D6 (0.47) CTSKCTSSCTSLCTSBCA1
SCHEMBL28216119 0.83 CTSK (0.42) CTSKCTSSCTSLCTSBCA1
SCHEMBL28511486 0.83 CYP2D6 (0.47) CTSKCTSSCTSLCTSBCA1
SCHEMBL20063688 0.82 SMN1; SMN2 (0.41) CTSKCTSSCTSLCTSBCA1
SCHEMBL15456301 0.82 SMN1; SMN2 (0.41) CTSKCTSSCTSLCTSBCA1
SCHEMBL13523650 0.81 CTSK (0.56) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL13523719 0.81 CTSK (0.56) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL15797149 0.80 CA1 (0.42) CTSKCTSSCTSLCTSBCA1

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
WO-1991008221-A1 PEPTIDE INHIBITORS OF HIV PROTEASE WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1991-06-13 WO disclosed
US-4997950-A Antisecretory MURPHY RICHARD FINBAR (US) 1991-03-05 US disclosed