SCHEMBL4042238

SCHEMBL4042238

CC(C)CC(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCC2C1C(=O)CN2OC(=O)Nc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.70
CTSS P25774 4/20 0.55
CCR1 P32246 1/20 0.41
CTSL P07711 4/20 0.38
CTSV O60911 2/20 0.38
CCKBR P32239 1/20 0.37
CTSB P07858 2/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL4043955 0.91 CTSK (0.58) CTSKCTSSCCR1CTSLCTSV
SCHEMBL4048280 0.90 CTSK (0.56) CTSKCTSSCCR1CTSLCTSV
SCHEMBL4047208 0.90 CTSK (0.71) CTSKCTSSCCR1CTSLCTSV
SCHEMBL4046497 0.90 CTSK (0.66) CTSKCTSSCCR1CTSL
SCHEMBL4045165 0.89 CTSK (0.61) CTSKCTSSCCR1CTSLCTSV
SCHEMBL4044248 0.88 CTSK (0.60) CTSKCTSSCTSL
SCHEMBL4051972 0.88 CTSK (0.54) CTSKCTSSCCR1CTSLCTSV
SCHEMBL4046824 0.88 CTSK (0.70) CTSKCTSSCCR1CTSLCTSV
SCHEMBL4045482 0.87 CTSK (0.54) CTSKCTSSCCR1CTSLCTSV
SCHEMBL4041020 0.87 CTSK (0.54) CTSKCTSSCCR1CTSLCTSB

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