SCHEMBL4049641

SCHEMBL4049641

CC(C)CC(NC(=O)Oc1ccco1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.40
HSD17B10 Q99714 1/20 0.38
CTSL P07711 6/20 0.37
CTSS P25774 3/20 0.37
HCRTR2 O43614 1/20 0.37
ELOVL6 Q9H5J4 1/20 0.35
SMYD3 Q9H7B4 1/20 0.34
CTSB P07858 2/20 0.33
GAA P10253 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL4046913 0.92 HSD17B10 (0.38) CTSKHSD17B10CTSLCTSSHCRTR2
SCHEMBL4044807 0.89 CTSK (0.39) CTSKCTSLCTSSSMYD3CTSB
SCHEMBL4047069 0.89 CTSK (0.42) CTSKCTSLCTSSCTSB
SCHEMBL4049970 0.88 CTSK (0.40) CTSKHSD17B10CTSLCTSSHCRTR2
SCHEMBL4045316 0.88 CTSK (0.40) CTSKCTSLCTSSCTSB
SCHEMBL4043843 0.87 CTSK (0.41) CTSKHSD17B10CTSLCTSSHCRTR2
SCHEMBL4052251 0.86 CTSK (0.52) CTSKCTSLCTSSCTSB
SCHEMBL4049190 0.86 CTSK (0.40) CTSKHSD17B10CTSLCTSSHCRTR2
SCHEMBL4051777 0.86 CTSK (0.44) CTSKHSD17B10CTSLCTSSHCRTR2
SCHEMBL4040677 0.85 CTSK (0.41) CTSKHSD17B10CTSLCTSSHCRTR2

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