SCHEMBL4049357

SCHEMBL4049357

COc1cccc2cc(OC(=O)NC(CC(C)C)C(=O)N3CCC4C3C(=O)CN4S(=O)(=O)C(=O)c3ccccn3)oc12

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.37
CTSL P07711 12/20 0.36
CTSS P25774 8/20 0.36
CTSB P07858 4/20 0.36
CTSV O60911 2/20 0.36
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 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
SCHEMBL4047709 0.93 ALDH1A1 (0.34) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4045839 0.91 CTSK (0.45) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4041738 0.90 CTSK (0.43) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4040201 0.89 CTSK (0.45) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4043661 0.89 ALDH1A1 (0.38) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4043435 0.88 CTSK (0.38) CTSKALDH1A1KDM4EHPGDRAB9A
SCHEMBL4046667 0.88 CTSK (0.37) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4044616 0.85 CHRNB2 (0.39) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4040348 0.84 CTSK (0.42) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4043256 0.84 CTSK (0.41) 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