SCHEMBL4049343

SCHEMBL4049343

CC(C)CC(NC(=O)Oc1ccsc1)C(=O)N1CCC2C1C(=O)CN2C(=O)Cc1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.43
CTSL P07711 6/20 0.36
CTSS P25774 4/20 0.36
CTSB P07858 2/20 0.36
ALDH1A1 P00352 1/20 0.35
PAX8 Q06710 1/20 0.35
CHRNA7 P36544 1/20 0.34
C3AR1 Q16581 1/20 0.34
ACACB O00763 1/20 0.34
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33

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
SCHEMBL4048509 0.92 CTSK (0.38) CTSKALDH1A1PAX8CHRNA7C3AR1
SCHEMBL4045728 0.92 CTSK (0.35) CTSKALDH1A1PAX8CHRNA7C3AR1
SCHEMBL4041667 0.90 HTRA1 (0.38) CTSKCTSLCTSSCHRNA7C3AR1
SCHEMBL4038998 0.88 CTSK (0.44) CTSKCTSLCTSSCTSBALDH1A1
SCHEMBL4045083 0.88 CTSK (0.47) CTSKCTSLCTSSCTSBCHRNA7
SCHEMBL4045179 0.87 CTSK (0.44) CTSKCTSLCTSSCTSBPAX8
SCHEMBL4050440 0.87 CTSK (0.43) CTSKCTSLCTSSCTSBALDH1A1
SCHEMBL4042764 0.87 CTSK (0.38) CTSKCTSLCTSSCTSBALDH1A1
SCHEMBL4044450 0.85 CTSK (0.43) CTSKCTSLCTSSCTSBALDH1A1
SCHEMBL4042884 0.85 CTSK (0.41) CTSKCTSLCTSSCTSBALDH1A1

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