SCHEMBL4042973

SCHEMBL4042973

CC(C)CC(NC(=O)Oc1ccc(-c2ccccc2)s1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccc(Cl)s1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.51
CTSS P25774 5/20 0.38
CTSL P07711 6/20 0.37
CTSB P07858 2/20 0.37
CCR1 P32246 1/20 0.35
F10 P00742 1/20 0.34
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
SCHEMBL4043757 0.89 CTSK (0.57) CTSKCTSSCTSBCCR1F10
SCHEMBL4043745 0.89 CTSK (0.63) CTSKCTSSCTSLCTSBCCR1
SCHEMBL4048144 0.87 CTSK (0.49) CTSKCTSSCTSLCTSB
SCHEMBL4049584 0.87 CTSK (0.51) CTSKCTSSCTSLCTSB
SCHEMBL4047621 0.86 CTSK (0.51) CTSKCTSSCTSLCTSBMEN1
SCHEMBL4046048 0.86 CTSK (0.57) CTSKCTSSCTSLCTSB
SCHEMBL4050266 0.86 CTSK (0.52) CTSKCTSSCTSLCTSB
SCHEMBL4044409 0.86 CTSK (0.50) CTSKCTSSCTSLCTSBMEN1
SCHEMBL4042518 0.86 CTSK (0.50) CTSKCTSSCTSLCTSBMEN1
SCHEMBL4044220 0.86 CTSK (0.50) CTSKCTSSCTSLCTSB

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