SCHEMBL28859554

SCHEMBL28859554

CC(C)(C)OC(=O)CC(NC(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.53
CTSS P25774 3/20 0.53
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.47
ATM Q13315 1/20 0.47
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
ABCB1 P08183 1/20 0.45
GABRB1 P18505 1/20 0.44
GABRB2 P47870 1/20 0.44
PPARA Q07869 2/20 0.44
PPARG P37231 1/20 0.44

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
SCHEMBL5862217 0.93 CTSK (0.52) CTSKCTSSMAPTATMCTSL
SCHEMBL31633773 0.93 CTSK (0.52) CTSKCTSSMAPTATMCTSL
SCHEMBL1783805 0.93 CTSK (0.52) CTSKCTSSMAPTATMCTSL
SCHEMBL1573513 0.93 CTSK (0.52) CTSKCTSSMAPTATMCTSL
SCHEMBL348499 0.90 CTSK (0.54) CTSKCTSSMAPTATMCTSL
SCHEMBL348500 0.90 CTSK (0.54) CTSKCTSSMAPTATMCTSL
SCHEMBL46367 0.90 CTSK (0.54) CTSKCTSSMAPTATMCTSL
SCHEMBL1274264 0.89 TSHR (0.51) CTSKCTSSMAPTATM
SCHEMBL13929424 0.89 TSHR (0.51) CTSKCTSSMAPTATM
SCHEMBL27763891 0.89 TSHR (0.51) CTSKCTSSMAPTATM

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
CN-105175364-B A kind of method for preparing anti-aids drug amprenavir intermediate 上海应用技术学院 2018-05-22 CN claimed