SCHEMBL13550797

SCHEMBL13550797

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

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.62
CTSS P25774 2/20 0.62
MME P08473 1/20 0.49
S1PR3 Q99500 1/20 0.48
SCN9A Q15858 1/20 0.47
APP P05067 1/20 0.47
KMT2A Q03164 1/20 0.46
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
KLK5 Q9Y337 1/20 0.43

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
SCHEMBL12880513 0.86 CTSK (0.67) CTSKCTSSS1PR3SCN9A
SCHEMBL15671568 0.86 CTSK (0.67) CTSKCTSSS1PR3SCN9A
SCHEMBL15671569 0.86 CTSK (0.67) CTSKCTSSS1PR3SCN9A
SCHEMBL20418678 0.85 CTSK (0.66) CTSKCTSSS1PR3SCN9AKMT2A
SCHEMBL116386 0.83 CTSK (0.66) CTSKCTSSS1PR3
SCHEMBL525862 0.83 CTSK (0.66) CTSKCTSSS1PR3
SCHEMBL264362 0.83 CTSK (0.66) CTSKCTSSS1PR3
SCHEMBL7884670 0.83 CTSK (0.55) CTSKCTSSS1PR3SCN9AKLK5
SCHEMBL13778634 0.82 CTSK (0.61) CTSKCTSSS1PR3SCN9A
SCHEMBL12566968 0.82 CTSK (0.61) CTSKCTSSS1PR3SCN9A

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-2010001085-A2 PROCESS CELTIC CATALYSTS LIMITED (IE) 2010-01-07 WO disclosed