SCHEMBL4043843

SCHEMBL4043843

CC(C)CC(NC(=O)Oc1cc2ccccc2o1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.41
CTSL P07711 13/20 0.41
CTSS P25774 9/20 0.41
CTSB P07858 3/20 0.41
CTSV O60911 2/20 0.41
HSD17B10 Q99714 1/20 0.36
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
HCRTR2 O43614 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 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
SCHEMBL4041999 0.93 HSD17B10 (0.36) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4047148 0.92 CHRNB2 (0.39) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4045633 0.90 CTSK (0.41) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4040754 0.90 CTSK (0.40) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4044616 0.89 CHRNB2 (0.39) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4042413 0.88 CTSK (0.40) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4041849 0.88 CTSK (0.54) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4040677 0.88 CTSK (0.41) CTSKCTSLCTSSCTSBHSD17B10
SCHEMBL4049641 0.87 CTSK (0.40) CTSKCTSLCTSSCTSBHSD17B10
SCHEMBL4044312 0.86 CTSK (0.40) CTSKHSD17B10MMP1MMP3MMP9

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