SCHEMBL6784157

SCHEMBL6784157

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.45
CTSS P25774 3/20 0.45
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.42
KLK5 Q9Y337 2/20 0.42
GABRB1 P18505 1/20 0.41
GABRB2 P47870 1/20 0.41
ATM Q13315 1/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.38
SYK P43405 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
SCHEMBL6779105 1.00 CTSK (0.45) CTSKCTSSMAPTKMT2AKLK5
SCHEMBL13089877 0.88 CTSK (0.48) CTSKCTSSMAPTKMT2AKLK5
SCHEMBL14803932 0.82 CTSK (0.50) CTSKCTSSMAPTKMT2AKLK5
SCHEMBL13051340 0.82 CTSK (0.50) CTSKCTSSMAPTKMT2AKLK5
SCHEMBL31477252 0.81 CTSK (0.43) CTSKCTSSMAPTKMT2AKLK5
SCHEMBL12069800 0.81 CTSK (0.49) CTSKCTSSMAPTKMT2AKLK5
SCHEMBL12068193 0.81 CTSK (0.49) CTSKCTSSMAPTKMT2AKLK5
SCHEMBL6784979 0.81 CTSK (0.49) CTSKCTSSMAPTKMT2AKLK5
SCHEMBL30906712 0.81 KMT2A (0.38) CTSKCTSSMAPTKMT2AKLK5
SCHEMBL9077908 0.81 CTSK (0.45) CTSKCTSSMAPTKMT2AKLK5

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
US-20040005562-A9 Comprises tranferase protein associated with biosynthesis of taxoids for treating breast and ovarian cancers WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION 2004-01-08 US disclosed
US-20030108891-A1 Transacylases of the paclitaxel biosynthetic pathway WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION 2003-06-12 US disclosed