SCHEMBL4044791

SCHEMBL4044791

CC(C)COC(=O)ON1CC(=O)C2C1CCN2C(=O)C(CC(C)C)NC(=O)c1ccc(N2CCNCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.52
CTSS P25774 2/20 0.42
CDK4 P11802 1/20 0.36
CCNA2 P20248 1/20 0.36
CCND1 P24385 1/20 0.36
CDK2 P24941 1/20 0.36
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
ITGA2 P17301 1/20 0.35
POLB P06746 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35

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
SCHEMBL4041651 0.94 CTSK (0.55) CTSKCTSSCTSLPOLBSMYD3
SCHEMBL4047452 0.92 CTSK (0.54) CTSKCTSSCTSL
SCHEMBL4043531 0.92 CTSK (0.62) CTSKCTSSCTSL
SCHEMBL4042463 0.89 CTSK (0.57) CTSKCTSSCDK4CCNA2CCND1
SCHEMBL4050121 0.89 CTSK (0.54) CTSKCTSSCDK4CCNA2CCND1
SCHEMBL4047157 0.88 CTSK (0.51) CTSKCTSSCDK4CCNA2CCND1
SCHEMBL4043121 0.87 CTSK (0.56) CTSKCTSSCTSLPOLB
SCHEMBL4050211 0.87 CTSK (0.69) CTSKCTSSCTSLPOLB
SCHEMBL4045325 0.86 CTSK (0.69) CTSKCTSSCTSLCTSBPOLB
SCHEMBL4045482 0.86 CTSK (0.54) CTSKCTSSCDK4CCNA2CCND1

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-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed