SCHEMBL3950848

SCHEMBL3950848

CC(C)(C)[C@@]1(COc2ccccc2)C[C@@H](NS(=O)(=O)c2cc(Br)ccc2Br)CN1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 18)

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
HTR1A P08908 11/20 0.41
HTR7 P34969 11/20 0.41
CTSB P07858 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.37
CPT2 P23786 1/20 0.36
CPT1A P50416 1/20 0.36
CPT1B Q92523 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KAT6A Q92794 1/20 0.33
CCR8 P51685 1/20 0.33
MAPT P10636 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
SCHEMBL3948965 0.89 CTSL (0.46) CTSLCTSSCTSKCTSCHTR1A
SCHEMBL3947845 0.86 CTSL (0.44) CTSLCTSSCTSKCTSCHTR1A
SCHEMBL3952105 0.85 CTSL (0.48) CTSLCTSSCTSKCTSCHTR1A
SCHEMBL3945732 0.85 CTSL (0.43) CTSLCTSSCTSKCTSCHTR1A
SCHEMBL3948757 0.84 CTSL (0.42) CTSLCTSSCTSKCTSCHTR1A
SCHEMBL3954933 0.84 CTSL (0.38) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3954233 0.83 CTSL (0.43) CTSLCTSSCTSKCTSCHTR1A
SCHEMBL3952232 0.83 CTSL (0.43) CTSLCTSSCTSKCTSCHTR1A
SCHEMBL4303295 0.83 CTSL (0.41) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3956823 0.82 KMT2A (0.39) 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