SCHEMBL4042998

SCHEMBL4042998

CCC(C)C(OC)C(=O)N1CC(=O)C2C1CCN2C(=O)C(CC(C)C)NC(=O)Oc1ccc(-c2ccccc2)s1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.49
CTSL P07711 7/20 0.38
CTSS P25774 6/20 0.38
CTSB P07858 3/20 0.38
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL4046903 0.91 CTSK (0.48) CTSKCTSLCTSSCTSBMEN1
SCHEMBL4042461 0.90 CTSK (0.48) CTSKCTSLCTSSCTSB
SCHEMBL4052240 0.89 CTSK (0.49) CTSKCTSLCTSSCTSB
SCHEMBL4041987 0.89 CTSK (0.47) CTSKCTSLCTSSCTSBKMT2A
SCHEMBL4046704 0.89 CTSK (0.53) CTSKCTSLCTSSCTSB
SCHEMBL4041942 0.89 CTSK (0.49) CTSKCTSLCTSSCTSBMEN1
SCHEMBL4047843 0.89 CTSK (0.49) CTSKCTSLCTSSCTSBMEN1
SCHEMBL4049584 0.89 CTSK (0.51) CTSKCTSLCTSSCTSB
SCHEMBL4050342 0.88 CTSK (0.47) CTSKCTSLCTSSCTSB
SCHEMBL4047621 0.88 CTSK (0.51) CTSKCTSLCTSSCTSBMEN1

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