SCHEMBL8350293

SCHEMBL8350293

CC(C)C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NN(C[C@@H]1C2OC2CN1C(=O)c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.47
CTSS P25774 3/20 0.46
CTSL P07711 6/20 0.40
CTSB P07858 2/20 0.39
CBX4 O00257 3/20 0.38
CBX7 O95931 3/20 0.38
CDYL2 Q8N8U2 3/20 0.38
CBX8 Q9HC52 3/20 0.38
CBX6 O95503 1/20 0.37
CBX2 Q14781 1/20 0.37
UTS2R Q9UKP6 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4040623 1.00 CTSK (0.47) CTSKCTSSCTSLCTSBCBX4
SCHEMBL4040629 1.00 CTSK (0.47) CTSKCTSSCTSLCTSBCBX4
SCHEMBL4040598 0.89 CTSK (0.40) CTSKCTSSCTSLCBX4CBX7
SCHEMBL4039918 0.89 CTSK (0.40) CTSKCTSSCTSLCBX4CBX7
SCHEMBL4039844 0.84 CTSK (0.48) CTSKCTSSCTSLCTSBCBX4
SCHEMBL4039831 0.84 CTSK (0.48) CTSKCTSSCTSLCTSBCBX4
SCHEMBL8347480 0.81 MAPT (0.42) CTSKCTSSCTSL
SCHEMBL4043450 0.81 MAPT (0.42) CTSKCTSSCTSL
SCHEMBL4046341 0.81 MAPT (0.42) CTSKCTSSCTSL
SCHEMBL4043831 0.77 MAPT (0.36) CTSKCTSSCTSL

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-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO disclosed