SCHEMBL4047790

SCHEMBL4047790

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

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.36
ELANE P08246 1/20 0.34
PREP P48147 2/20 0.32
FAP Q12884 1/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32

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
SCHEMBL4051473 0.93 CTSK (0.34) CTSKELANEPREPFAP
SCHEMBL4045591 0.93 CTSK (0.41) CTSKELANEPREPFAPCTSL
SCHEMBL4040745 0.90 HSD17B10 (0.36) CTSKELANECTSLCTSS
SCHEMBL4043551 0.89 CTSL (0.41) CTSKELANEPREPFAPCTSL
SCHEMBL4045044 0.88 CTSK (0.36) CTSKELANEPREPFAP
SCHEMBL4049268 0.88 SMYD3 (0.35) CTSKCTSLCTSS
SCHEMBL4043853 0.87 CTSK (0.37) CTSKELANECTSLCTSS
SCHEMBL4047540 0.83 CTSK (0.47) CTSKCTSLCTSS
SCHEMBL4051458 0.83 CTSK (0.36) CTSKELANEPREPFAP
SCHEMBL4044048 0.83 HSD17B10 (0.37) CTSKPREPFAP

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