SCHEMBL4047816

SCHEMBL4047816

CCCC(NC(=O)Oc1cc2ccccc2o1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccc[n+]1[O-]

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.33
CTSL P07711 13/20 0.33
CTSS P25774 9/20 0.33
CTSB P07858 3/20 0.33
CTSV O60911 2/20 0.33
F2 P00734 2/20 0.32
F10 P00742 2/20 0.32
PREP P48147 1/20 0.30
FAP Q12884 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
SCHEMBL4041781 0.93 CTSK (0.39) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4045162 0.92 TAS1R3 (0.34) CTSKF2F10
SCHEMBL4051242 0.90 CTSK (0.33) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4046844 0.90 HPGD (0.32) CTSKF2F10
SCHEMBL6210152 0.89 CTSK (0.43) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4046418 0.88 CTSK (0.33) CTSKCTSLCTSSF2F10
SCHEMBL4049558 0.88 CTSK (0.36) CTSKF2F10
SCHEMBL4050225 0.86 CTSK (0.35) CTSKF2F10PREPFAP
SCHEMBL4040960 0.86 PREP (0.32) CTSKPREPFAP
SCHEMBL4042300 0.85 CTSK (0.37) 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