SCHEMBL3948764

SCHEMBL3948764

CC(C)(C)[C@@]1(COC(=O)Nc2ccc(C(F)(F)F)cc2)C[C@@H](NS(=O)(=O)c2cc(Br)ccc2Br)CN1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.39
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39
CTSC P53634 1/20 0.39
ALDH1A1 P00352 1/20 0.36
CTSB P07858 1/20 0.36
TP53 P04637 4/20 0.34
MAPT P10636 4/20 0.34
EPHX2 P34913 3/20 0.34
MTOR P42345 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 4/20 0.33
CETP P11597 1/20 0.33
ELOVL6 Q9H5J4 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
IDH1 O75874 1/20 0.32
KCNJ6 P48051 1/20 0.32
KCNJ5 P48544 1/20 0.32
KCNJ3 P48549 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
SCHEMBL3947226 0.92 IDH2 (0.38) CTSLCTSSCTSKCTSCALDH1A1
SCHEMBL3954933 0.87 CTSL (0.38) CTSLCTSSCTSKCTSCALDH1A1
SCHEMBL3949206 0.86 CTSL (0.39) CTSLCTSSCTSKCTSCALDH1A1
SCHEMBL3945732 0.85 CTSL (0.43) CTSLCTSSCTSKCTSCALDH1A1
SCHEMBL3948757 0.85 CTSL (0.42) CTSLCTSSCTSKCTSCALDH1A1
SCHEMBL3947845 0.84 CTSL (0.44) CTSLCTSSCTSKCTSCALDH1A1
SCHEMBL3948965 0.83 CTSL (0.46) CTSLCTSSCTSKCTSCALDH1A1
SCHEMBL3956823 0.82 KMT2A (0.39) CTSLCTSSCTSKCTSCALDH1A1
SCHEMBL3952105 0.81 CTSL (0.48) CTSLCTSSCTSKCTSCALDH1A1
SCHEMBL4303295 0.80 CTSL (0.41) 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