SCHEMBL4047629

SCHEMBL4047629

CC(C)CC(NC(=O)Oc1ccoc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccc[n+]([O-])c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.40
CTSL P07711 7/20 0.35
CTSS P25774 5/20 0.35
CTSB P07858 2/20 0.35
HTRA1 Q92743 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPK1 P28482 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
SCHEMBL4040755 0.92 CTSK (0.35) CTSKCTSLCTSS
SCHEMBL4048544 0.92 P2RY12 (0.32) CTSK
SCHEMBL4042622 0.90 CTSS (0.40) CTSKCTSLCTSSCTSB
SCHEMBL4052113 0.89 CTSK (0.41) CTSKCTSLCTSSCTSBMEN1
SCHEMBL4049970 0.88 CTSK (0.40) CTSKCTSLCTSSCTSB
SCHEMBL4045316 0.88 CTSK (0.40) CTSKCTSLCTSSCTSBHTRA1
SCHEMBL4039525 0.87 CTSK (0.42) CTSKCTSLCTSSCTSBHTRA1
SCHEMBL4049913 0.87 CTSK (0.40) CTSKCTSLCTSSCTSBHTRA1
SCHEMBL4047459 0.86 CTSK (0.38) CTSKKMT2A
SCHEMBL4047640 0.85 CTSK (0.41) CTSKCTSLCTSSCTSBHTRA1

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