SCHEMBL3933844

SCHEMBL3933844

CC(C)N(C(=O)O)c1cccc([C@H](C)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.44
CTSS P25774 1/20 0.41
MAPT P10636 2/20 0.40
ATM Q13315 2/20 0.40
GABRB1 P18505 1/20 0.39
GABRB2 P47870 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GLS O94925 2/20 0.38
MAPK1 P28482 1/20 0.38
CA2 P00918 1/20 0.37

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
SCHEMBL505937 0.81 CTSK (0.48) CTSKCTSSGABRB1GABRB2ALDH1A1
SCHEMBL320557 0.81 CTSK (0.48) CTSKCTSSGABRB1GABRB2ALDH1A1
SCHEMBL5263828 0.79 SLC7A5 (0.38) MAPTALDH1A1
SCHEMBL12203593 0.78 CTSK (0.62) CTSKCTSSMAPTATMGABRB1
SCHEMBL6346032 0.78 CTSK (0.62) CTSKCTSSMAPTATMGABRB1
SCHEMBL6346030 0.78 CTSK (0.62) CTSKCTSSMAPTATMGABRB1
SCHEMBL6487442 0.78 CTSK (0.47) CTSKCTSSGABRB1GABRB2GLS
SCHEMBL2008100 0.78 CTSK (0.47) CTSKCTSSGABRB1GABRB2GLS
SCHEMBL19479409 0.78 CTSK (0.47) CTSKCTSSATMGABRB1GABRB2
SCHEMBL781623 0.78 CTSK (0.47) CTSKCTSSGABRB1GABRB2GLS

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2041118-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2009-04-01 EP disclosed
WO-2007114827-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2007-10-11 WO disclosed