SCHEMBL4049190

SCHEMBL4049190

CC(C)CC(NC(=O)Oc1cccs1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.40
HCRTR2 O43614 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KCNQ1 P51787 1/20 0.36
ELOVL6 Q9H5J4 1/20 0.35
CTSL P07711 2/20 0.34
CTSB P07858 2/20 0.34
GAA P10253 1/20 0.34
CTSS P25774 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 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
SCHEMBL4047006 0.92 HSD17B10 (0.38) CTSKHCRTR2HSD17B10KCNQ1ELOVL6
SCHEMBL4043196 0.89 CTSK (0.39) CTSKCTSLCTSBCTSS
SCHEMBL4049412 0.89 CTSK (0.42) CTSKCTSLCTSBCTSS
SCHEMBL4041872 0.89 CTSK (0.38) CTSKHCRTR2HSD17B10KCNQ1ELOVL6
SCHEMBL4043490 0.88 CTSK (0.40) CTSKHCRTR2HSD17B10KCNQ1ELOVL6
SCHEMBL4047640 0.87 CTSK (0.41) CTSKCTSLCTSBGAACTSS
SCHEMBL4044312 0.87 CTSK (0.40) CTSKHCRTR2HSD17B10KCNQ1KMT2A
SCHEMBL4037989 0.87 CTSK (0.42) CTSKHCRTR2HSD17B10KCNQ1ELOVL6
SCHEMBL4051777 0.87 CTSK (0.44) CTSKHCRTR2HSD17B10KCNQ1ELOVL6
SCHEMBL4049641 0.86 CTSK (0.40) CTSKHCRTR2HSD17B10ELOVL6CTSL

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