SCHEMBL4050211

SCHEMBL4050211

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

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.69
CTSS P25774 3/20 0.53
POLB P06746 1/20 0.37
CCR1 P32246 1/20 0.37
CTSV O60911 2/20 0.34
CTSL P07711 2/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34

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
SCHEMBL4043121 0.91 CTSK (0.56) CTSKCTSSPOLBCCR1CTSV
SCHEMBL4041651 0.89 CTSK (0.55) CTSKCTSSPOLBCCR1CTSV
SCHEMBL4045325 0.89 CTSK (0.69) CTSKCTSSPOLBCCR1CTSV
SCHEMBL4048050 0.88 CTSK (0.75) CTSKCTSSPOLBCCR1CTSV
SCHEMBL4044908 0.88 CTSK (0.58) CTSKCTSSPOLBCCR1CTSV
SCHEMBL4046824 0.88 CTSK (0.70) CTSKCTSSPOLBCCR1CTSV
SCHEMBL4047452 0.87 CTSK (0.54) CTSKCTSSCTSVCTSL
SCHEMBL4043531 0.87 CTSK (0.62) CTSKCTSSCTSL
SCHEMBL4046497 0.87 CTSK (0.66) CTSKCTSSPOLBCCR1CTSL
SCHEMBL4044791 0.87 CTSK (0.52) CTSKCTSSPOLBCTSL

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