SCHEMBL3954233

SCHEMBL3954233

CC(C)(C)[C@@]1(CN2C(=O)c3ccccc3C2=O)C[C@@H](NS(=O)(=O)c2cc(Br)ccc2Br)CN1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.43
CTSS P25774 2/20 0.43
CTSK P43235 2/20 0.43
CTSC P53634 1/20 0.43
CTSB P07858 1/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
BRD4 O60885 8/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP14 P50281 1/20 0.35
ADAM17 P78536 1/20 0.35
LPAR2 Q9HBW0 2/20 0.35
ALDH1A1 P00352 2/20 0.34
RORC P51449 1/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
MAPT P10636 1/20 0.32
GSK3B P49841 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
SCHEMBL3952105 0.84 CTSL (0.48) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3950848 0.83 CTSL (0.43) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3948965 0.83 CTSL (0.46) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3952232 0.82 CTSL (0.43) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3948712 0.81 CTSL (0.42) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3947845 0.80 CTSL (0.44) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3945732 0.79 CTSL (0.43) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3948757 0.78 CTSL (0.42) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3945414 0.78 P2RX7 (0.44) CTSLCTSSCTSKCTSCMEN1
SCHEMBL3947810 0.77 CTSL (0.40) 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