SCHEMBL3780925

SCHEMBL3780925

CC(C)(C)OC(=O)N[C@@H](c1ccccc1)[C@H](C=O)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.43
CTSS P25774 4/20 0.43
MAPT P10636 2/20 0.41
ATM Q13315 2/20 0.40
GABRB1 P18505 1/20 0.39
GABRB2 P47870 1/20 0.39
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
PPARA Q07869 2/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL4179331 0.85 CTSK (0.44) CTSKCTSSMAPTATMGABRB1
SCHEMBL2787921 0.84 LMNA (0.48) MAPTALDH1A1TSHR
SCHEMBL7743269 0.81 CTSK (0.43) CTSKCTSSMAPTATMGABRB1
SCHEMBL7750570 0.81 CTSK (0.43) CTSKCTSSMAPTATMGABRB1
SCHEMBL31477252 0.81 CTSK (0.43) CTSKCTSSMAPTATMGABRB1
SCHEMBL9659473 0.81 ATM (0.51) CTSKCTSSMAPTATMCTSL
SCHEMBL7747431 0.80 CTSK (0.42) CTSKCTSSMAPTATMGABRB1
SCHEMBL13620127 0.79 CTSK (0.50) CTSKCTSSMAPTATMGABRB1
SCHEMBL3374342 0.78 CTSK (0.49) CTSKCTSSMAPTATMGABRB1
SCHEMBL5744544 0.77 CTSK (0.46) CTSKCTSSMAPTATMGABRB1

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-2010024762-A1 PREPARATION OF β-PHENYL-ISOSERINE DERIVATIVES ORGANOCLICK AKTIEBOLAG (SE) 2010-03-04 WO disclosed