SCHEMBL3948712

SCHEMBL3948712

CC(C)(C)[C@@]1(CNC(=O)Cc2ccccc2)C[C@@H](NS(=O)(=O)c2cc(Br)ccc2Br)CN1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

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
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CTSB P07858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.35
EGFR P00533 3/20 0.34
ERBB2 P04626 3/20 0.34
SIGMAR1 Q99720 2/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
KRAS P01116 1/20 0.33
POLB P06746 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
SCHEMBL3952232 0.88 CTSL (0.43) CTSLCTSSCTSKCTSCMEN1
SCHEMBL3945414 0.83 P2RX7 (0.44) CTSLCTSSCTSKCTSCMEN1
SCHEMBL3952105 0.83 CTSL (0.48) CTSLCTSSCTSKCTSCMEN1
SCHEMBL3947810 0.83 CTSL (0.40) CTSLCTSSCTSKCTSCMEN1
SCHEMBL3950848 0.82 CTSL (0.43) CTSLCTSSCTSKCTSCMEN1
SCHEMBL3948965 0.81 CTSL (0.46) CTSLCTSSCTSKCTSCMEN1
SCHEMBL3954233 0.81 CTSL (0.43) CTSLCTSSCTSKCTSCMEN1
SCHEMBL3947845 0.79 CTSL (0.44) CTSLCTSSCTSKCTSCMEN1
SCHEMBL3948757 0.79 CTSL (0.42) CTSLCTSSCTSKCTSCMEN1
SCHEMBL3945732 0.78 CTSL (0.43) CTSLCTSSCTSKCTSCMEN1

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