SCHEMBL4049692

SCHEMBL4049692

CC(C)(C)CC(NC(=O)Oc1ccoc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1ccccn1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.37
CTSL P07711 3/20 0.37
CTSS P25774 3/20 0.37
ELANE P08246 1/20 0.36
GAA P10253 1/20 0.31
KMT2A Q03164 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
SCHEMBL4047765 0.93 PREP (0.35) CTSKCTSLCTSSELANEKMT2A
SCHEMBL4045340 0.92 CTSK (0.40) CTSKCTSLCTSSELANEKMT2A
SCHEMBL4047540 0.90 CTSK (0.47) CTSKCTSLCTSS
SCHEMBL4045469 0.88 ELANE (0.37) CTSKCTSLCTSSELANEGAA
SCHEMBL4043853 0.88 CTSK (0.37) CTSKCTSLCTSSELANE
SCHEMBL4049268 0.87 SMYD3 (0.35) CTSKCTSLCTSS
SCHEMBL4050717 0.84 CTSK (0.44) CTSKCTSLCTSSELANE
SCHEMBL4040745 0.83 HSD17B10 (0.36) CTSKCTSLCTSSELANEGAA
SCHEMBL4041626 0.83 CTSK (0.34) CTSKCTSLCTSSELANEGAA
SCHEMBL4046656 0.82 CTSK (0.40) CTSKCTSLCTSS

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