SCHEMBL9077908

SCHEMBL9077908

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.45
CTSS P25774 3/20 0.45
MAPT P10636 1/20 0.43
KLK5 Q9Y337 2/20 0.41
SYK P43405 1/20 0.40
ATM Q13315 1/20 0.40
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
KMT2A Q03164 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRB2 P47870 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL8563008 0.91 CTSK (0.46) CTSKCTSSMAPTATMCTSL
SCHEMBL31477252 0.85 CTSK (0.43) CTSKCTSSMAPTKLK5ATM
SCHEMBL13089877 0.84 CTSK (0.48) CTSKCTSSMAPTKLK5SYK
SCHEMBL6784157 0.81 CTSK (0.45) CTSKCTSSMAPTKLK5SYK
SCHEMBL6779105 0.81 CTSK (0.45) CTSKCTSSMAPTKLK5SYK
SCHEMBL8426257 0.80 PPARA (0.38) CTSKCTSSMAPTATMGABRB1
SCHEMBL14803932 0.79 CTSK (0.50) CTSKCTSSMAPTKLK5ATM
SCHEMBL13051340 0.79 CTSK (0.50) CTSKCTSSMAPTKLK5ATM
SCHEMBL12069800 0.77 CTSK (0.49) CTSKCTSSMAPTKLK5ATM
SCHEMBL6784979 0.77 CTSK (0.49) CTSKCTSSMAPTKLK5ATM

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
US-5556877-A ANTITUMOR AGENTS RHONE-POULENC RORER S.A. (FR) 1996-09-17 US disclosed