SCHEMBL3949032

SCHEMBL3949032

CC(C)(C)[N+]1(C(=O)[O-])C[C@H](NS(=O)(=O)c2cc(Br)ccc2Br)C[C@@H]1C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.46
CTSS P25774 2/20 0.46
CTSK P43235 2/20 0.46
CTSC P53634 1/20 0.46
CTSB P07858 1/20 0.43
ALDH1A1 P00352 2/20 0.39
EDNRB P24530 2/20 0.34
EDNRA P25101 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 2/20 0.32
TSHR P16473 1/20 0.31
METAP2 P50579 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 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
SCHEMBL3949555 0.86 CTSL (0.51) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3949052 0.84 CTSL (0.46) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3951319 0.83 CTSL (0.44) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3948515 0.83 CTSL (0.45) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3955669 0.82 ALDH1A1 (0.44) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3950831 0.80 CTSL (0.43) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3949447 0.80 CTSL (0.41) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3950858 0.80 CTSL (0.41) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3954226 0.77 CTSL (0.40) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3947754 0.76 CTSL (0.42) 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