SCHEMBL4047069

SCHEMBL4047069

CC(C)CC(NC(=O)Oc1ccco1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.42
CTSL P07711 8/20 0.35
CTSS P25774 6/20 0.35
PREP P48147 2/20 0.34
FAP Q12884 1/20 0.34
ELANE P08246 1/20 0.32
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
CTSB P07858 2/20 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
SCHEMBL4051394 0.92 CTSK (0.34) CTSKPREPFAPELANE
SCHEMBL4049641 0.89 CTSK (0.40) CTSKCTSLCTSSCTSB
SCHEMBL4045591 0.88 CTSK (0.41) CTSKCTSLCTSSPREPFAP
SCHEMBL4044807 0.88 CTSK (0.39) CTSKCTSLCTSSCTSB
SCHEMBL4045633 0.87 CTSK (0.41) CTSKCTSLCTSSPREPFAP
SCHEMBL4040348 0.87 CTSK (0.42) CTSKCTSLCTSSCTSB
SCHEMBL4045571 0.87 CTSK (0.46) CTSKCTSLCTSSPREPFAP
SCHEMBL4049412 0.87 CTSK (0.42) CTSKCTSLCTSSPREPFAP
SCHEMBL4043183 0.85 CTSK (0.43) CTSKCTSLCTSSPREPFAP
SCHEMBL4047118 0.85 CTSK (0.41) CTSKCTSLCTSSPREPFAP

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