SCHEMBL3948757

SCHEMBL3948757

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.42
CTSS P25774 2/20 0.42
CTSK P43235 2/20 0.42
CTSC P53634 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CTSB P07858 1/20 0.39
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 2/20 0.35
CCR8 P51685 5/20 0.32
HTR1A P08908 2/20 0.32
HTR7 P34969 2/20 0.32
GLA P06280 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NR1H2 P55055 2/20 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
SCHEMBL3945732 0.90 CTSL (0.43) CTSLCTSSCTSKCTSCALDH1A1
SCHEMBL3947845 0.89 CTSL (0.44) CTSLCTSSCTSKCTSCALDH1A1
SCHEMBL3948965 0.87 CTSL (0.46) CTSLCTSSCTSKCTSCALDH1A1
SCHEMBL4303295 0.86 CTSL (0.41) CTSLCTSSCTSKCTSCALDH1A1
SCHEMBL3949206 0.85 CTSL (0.39) CTSLCTSSCTSKCTSCALDH1A1
SCHEMBL3948764 0.85 CTSL (0.39) CTSLCTSSCTSKCTSCALDH1A1
SCHEMBL3950848 0.84 CTSL (0.43) CTSLCTSSCTSKCTSCALDH1A1
SCHEMBL3954933 0.84 CTSL (0.38) CTSLCTSSCTSKCTSCALDH1A1
SCHEMBL3956823 0.84 KMT2A (0.39) CTSLCTSSCTSKCTSCALDH1A1
SCHEMBL3952105 0.84 CTSL (0.48) CTSLCTSSCTSKCTSCALDH1A1

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