SCHEMBL4040348

SCHEMBL4040348

CC(C)CC(NC(=O)Oc1ccco1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.42
CTSL P07711 14/20 0.42
CTSS P25774 12/20 0.42
CTSB P07858 4/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CTSV O60911 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL4042961 0.92 CTSK (0.36) CTSKCTSLCTSS
SCHEMBL4052251 0.89 CTSK (0.52) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4047693 0.88 CTSK (0.40) CTSKCTSLCTSSCTSBKDM4E
SCHEMBL4041738 0.88 CTSK (0.43) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4045548 0.88 CTSK (0.51) CTSKCTSLCTSSCTSBKDM4E
SCHEMBL4050718 0.87 CTSK (0.41) CTSKCTSLCTSSCTSBKDM4E
SCHEMBL4045521 0.87 CTSK (0.43) CTSKCTSLCTSSCTSBKDM4E
SCHEMBL4047069 0.87 CTSK (0.42) CTSKCTSLCTSSCTSB
SCHEMBL4045960 0.86 CTSK (0.41) CTSKCTSLCTSSCTSBKDM4E
SCHEMBL4050151 0.86 CTSK (0.41) CTSKCTSLCTSSCTSBKDM4E

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