SCHEMBL4044151

SCHEMBL4044151

CC(C)(C)CC(NC(=O)Oc1csc2ccccc12)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.43
CTSS P25774 5/20 0.35
CTSL P07711 4/20 0.35
RBP4 P02753 1/20 0.33
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
MAPT P10636 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PREP P48147 1/20 0.30
FAP Q12884 1/20 0.30
ELANE P08246 1/20 0.30

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
SCHEMBL4047634 0.89 CTSL (0.39) CTSKCTSSCTSLPREPFAP
SCHEMBL4046569 0.88 CTSK (0.35) CTSKCTSSCTSLELANE
SCHEMBL4044148 0.87 CTSK (0.42) CTSKCTSSCTSL
SCHEMBL4041626 0.85 CTSK (0.34) CTSKCTSSCTSLMAPK1ALDH1A1
SCHEMBL4049243 0.85 CTSK (0.44) CTSKCTSSCTSLRBP4ELANE
SCHEMBL4051346 0.84 CTSK (0.38) CTSKCTSSALDH1A1L3MBTL1
SCHEMBL4050717 0.83 CTSK (0.44) CTSKCTSSCTSLRBP4ELANE
SCHEMBL4052140 0.81 HSD17B10 (0.36) CTSKALDH1A1HSD17B10
SCHEMBL4045645 0.80 SMYD3 (0.34) CTSKCTSSCTSLALDH1A1
SCHEMBL4051458 0.80 CTSK (0.36) CTSKPREPFAPELANE

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