SCHEMBL4045316

SCHEMBL4045316

CC(C)CC(NC(=O)Oc1ccco1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccc[n+]([O-])c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.40
CTSL P07711 10/20 0.35
CTSS P25774 5/20 0.35
CTSB P07858 2/20 0.34
HTRA1 Q92743 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL4046811 0.92 CTSK (0.33) CTSKMEN1KMT2A
SCHEMBL4044439 0.88 CTSK (0.41) CTSKCTSLCTSSCTSBMEN1
SCHEMBL4047629 0.88 CTSK (0.40) CTSKCTSLCTSSCTSBHTRA1
SCHEMBL4049641 0.88 CTSK (0.40) CTSKCTSLCTSSCTSB
SCHEMBL4042413 0.87 CTSK (0.40) CTSKCTSLCTSSCTSB
SCHEMBL4047640 0.86 CTSK (0.41) CTSKCTSLCTSSCTSBHTRA1
SCHEMBL4039525 0.85 CTSK (0.42) CTSKCTSLCTSSCTSBHTRA1
SCHEMBL4049913 0.85 CTSK (0.40) CTSKCTSLCTSSCTSBHTRA1
SCHEMBL4052251 0.84 CTSK (0.52) CTSKCTSLCTSSCTSB
SCHEMBL4042354 0.84 TAS1R3 (0.37) CTSKCTSLCTSSCTSB

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