SCHEMBL4221016

SCHEMBL4221016

CC(C)C[C@H](NC(=O)c1ccc(N(C)C)cc1)C(=O)N1CCC2[C@H]1C(=O)CN2C(=O)[C@@H](N)C(C)C

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.76
CTSS P25774 3/20 0.44
CCR1 P32246 1/20 0.38
POLB P06746 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 1/20 0.36
CTSV O60911 2/20 0.36
CTSL P07711 2/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
CACNA1B Q00975 1/20 0.36
CTSB P07858 1/20 0.35

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
SCHEMBL4221022 1.00 CTSK (0.76) CTSKCTSSCCR1POLBALDH1A1
SCHEMBL4043729 1.00 CTSK (0.76) CTSKCTSSCCR1POLBALDH1A1
SCHEMBL5941304 1.00 CTSK (0.76) CTSKCTSSCCR1POLBALDH1A1
SCHEMBL5941617 0.94 CTSK (0.75) CTSKCTSSCCR1POLBALDH1A1
SCHEMBL4217233 0.94 CTSK (0.75) CTSKCTSSCCR1POLBALDH1A1
SCHEMBL4210555 0.94 CTSK (0.75) CTSKCTSSCCR1POLBALDH1A1
SCHEMBL4210549 0.94 CTSK (0.75) CTSKCTSSCCR1POLBALDH1A1
SCHEMBL4210560 0.94 CTSK (0.75) CTSKCTSSCCR1POLBALDH1A1
SCHEMBL4217227 0.94 CTSK (0.75) CTSKCTSSCCR1POLBALDH1A1
SCHEMBL5942042 0.94 CTSK (0.75) CTSKCTSSCCR1POLBALDH1A1

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 disclosed