SCHEMBL4047847

SCHEMBL4047847

CCCC(NC(=O)Oc1cccs1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 0.38
CTSL P07711 19/20 0.38
CTSS P25774 18/20 0.38
CTSB P07858 2/20 0.36
CTSV O60911 1/20 0.36

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
SCHEMBL4043969 0.92 CTSK (0.44) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4038257 0.89 PREP (0.34) CTSK
SCHEMBL4045685 0.89 PREP (0.34) CTSK
SCHEMBL4041176 0.89 CTSL (0.36) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4046503 0.88 CTSL (0.37) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4051191 0.88 CTSK (0.37) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4045076 0.88 ALDH1A1 (0.38) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4043984 0.88 CTSK (0.39) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4042234 0.87 ELOVL6 (0.39) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4044230 0.86 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