SCHEMBL3947845

SCHEMBL3947845

CC(C)(C)C(=O)OC[C@]1(C(C)(C)C)C[C@@H](NS(=O)(=O)c2cc(Br)ccc2Br)CN1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.44
CTSS P25774 2/20 0.44
CTSK P43235 2/20 0.44
CTSC P53634 1/20 0.44
CTSB P07858 1/20 0.41
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 2/20 0.33
HTR1A P08908 2/20 0.32
HTR7 P34969 2/20 0.32
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CCR8 P51685 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL3948965 0.90 CTSL (0.46) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3945732 0.89 CTSL (0.43) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3948757 0.89 CTSL (0.42) CTSLCTSSCTSKCTSCCTSB
SCHEMBL4303295 0.87 CTSL (0.41) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3950848 0.86 CTSL (0.43) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3952105 0.86 CTSL (0.48) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3948764 0.84 CTSL (0.39) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3949206 0.84 CTSL (0.39) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3956823 0.83 KMT2A (0.39) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3954933 0.83 CTSL (0.38) CTSLCTSSCTSKCTSCCTSB

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
WO-2009026197-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2009-02-26 WO disclosed