SCHEMBL4042413

SCHEMBL4042413

CC(C)CC(NC(=O)Oc1cc2ccccc2o1)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 17/20 0.40
CTSL P07711 13/20 0.39
CTSS P25774 9/20 0.39
CTSB P07858 3/20 0.39
CTSV O60911 2/20 0.39
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34

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
SCHEMBL4051242 0.93 CTSK (0.33) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4042354 0.91 TAS1R3 (0.37) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4041781 0.90 CTSK (0.39) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4050961 0.89 CTSK (0.36) CTSK
SCHEMBL4043843 0.88 CTSK (0.41) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4039525 0.87 CTSK (0.42) CTSKCTSLCTSSCTSB
SCHEMBL4045316 0.87 CTSK (0.40) CTSKCTSLCTSSCTSB
SCHEMBL4049257 0.86 CTSK (0.41) CTSKCTSLCTSSCTSBTAS1R3
SCHEMBL4043622 0.86 CTSK (0.39) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4041849 0.85 CTSK (0.54) CTSKCTSLCTSSCTSBCTSV

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