SCHEMBL4049970

SCHEMBL4049970

CC(C)CC(NC(=O)Oc1ccoc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.40
HSD17B10 Q99714 1/20 0.38
ELOVL6 Q9H5J4 1/20 0.37
HCRTR2 O43614 1/20 0.37
KCNQ1 P51787 1/20 0.35
CTSL P07711 6/20 0.34
CTSS P25774 4/20 0.34
CTSB P07858 2/20 0.34
GPR119 Q8TDV5 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
GAA P10253 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
SCHEMBL4040745 0.92 HSD17B10 (0.36) CTSKHSD17B10ELOVL6HCRTR2KCNQ1
SCHEMBL4044048 0.92 HSD17B10 (0.37) CTSKHSD17B10ELOVL6HCRTR2KCNQ1
SCHEMBL4048306 0.90 CTSK (0.38) CTSKCTSLCTSSCTSBSMYD3
SCHEMBL4045591 0.90 CTSK (0.41) CTSKCTSLCTSSCTSBMMP1
SCHEMBL4043817 0.90 CTSL (0.39) CTSKHSD17B10ELOVL6HCRTR2KCNQ1
SCHEMBL4051777 0.88 CTSK (0.44) CTSKHSD17B10ELOVL6HCRTR2KCNQ1
SCHEMBL4047629 0.88 CTSK (0.40) CTSKCTSLCTSSCTSB
SCHEMBL4049641 0.88 CTSK (0.40) CTSKHSD17B10ELOVL6HCRTR2CTSL
SCHEMBL4040677 0.87 CTSK (0.41) CTSKHSD17B10ELOVL6HCRTR2KCNQ1
SCHEMBL4043490 0.87 CTSK (0.40) CTSKHSD17B10ELOVL6HCRTR2KCNQ1

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