SCHEMBL4042533

SCHEMBL4042533

CCCC(NC(=O)Oc1cc2cc(OC)ccc2o1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.40
CTSL P07711 18/20 0.40
CTSS P25774 14/20 0.40
CTSB P07858 5/20 0.40
CTSV O60911 2/20 0.40

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
SCHEMBL4041991 0.93 CTSK (0.46) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4048699 0.92 CTSK (0.40) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4044711 0.92 CTSK (0.47) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4046525 0.91 TAS1R3 (0.34) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4048091 0.91 HPGD (0.38) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4049501 0.90 CTSK (0.40) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4043869 0.88 KCNQ1 (0.37)
SCHEMBL4048801 0.87 CTSK (0.39) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4046175 0.87 CTSK (0.37) CTSKCTSLCTSS
SCHEMBL4044230 0.87 CTSL (0.40) 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