SCHEMBL4042884

SCHEMBL4042884

CC(C)CC(NC(=O)Oc1cc2sccc2s1)C(=O)N1CCC2C1C(=O)CN2C(=O)Cc1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.41
PAX8 Q06710 1/20 0.35
CTSL P07711 6/20 0.34
CTSS P25774 4/20 0.34
CTSB P07858 2/20 0.34
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32

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
SCHEMBL4038641 0.93 CTSK (0.33) CTSKPAX8ALDH1A1L3MBTL1
SCHEMBL4051435 0.92 HTRA1 (0.33) CTSKPAX8CTSLCTSS
SCHEMBL4050975 0.90 CTSK (0.43) CTSKPAX8CTSLCTSSCTSB
SCHEMBL4043944 0.90 CTSK (0.33) CTSKPAX8CTSSCTSBALDH1A1
SCHEMBL4038998 0.89 CTSK (0.44) CTSKPAX8CTSLCTSSCTSB
SCHEMBL4045303 0.87 CTSK (0.37) CTSKCTSLCTSSCTSBALDH1A1
SCHEMBL4041872 0.85 CTSK (0.38) CTSKCTSLCTSSCTSBMMP1
SCHEMBL4045035 0.85 CTSK (0.45) CTSKPAX8CTSLCTSSCTSB
SCHEMBL4049343 0.85 CTSK (0.43) CTSKPAX8CTSLCTSSCTSB
SCHEMBL4047331 0.83 CTSK (0.40) CTSKCTSLCTSSCTSBMMP1

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