SCHEMBL5500503

SCHEMBL5500503

[CH2]c1ccc(C([CH2])NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.41
CTSS P25774 4/20 0.41
MAPT P10636 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
ATM Q13315 1/20 0.38
TRPA1 O75762 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRB2 P47870 1/20 0.36
PPARA Q07869 2/20 0.36
PPARG P37231 1/20 0.36
CA4 P22748 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL7877056 0.87 MIF (0.47) CTSKCTSSMAPTCA1CA2
SCHEMBL391359 0.86 TRPA1 (0.47) CTSKCTSSMAPTTRPA1CTSL
SCHEMBL7878973 0.86 CTSK (0.40) CTSKCTSSMAPTCA1CA2
SCHEMBL1194009 0.85 CTSK (0.55) CTSKCTSSMAPTATMCTSL
SCHEMBL6609045 0.85 CTSK (0.55) CTSKCTSSMAPTATMCTSL
SCHEMBL1193789 0.85 CTSK (0.55) CTSKCTSSMAPTATMCTSL
SCHEMBL6608688 0.83 CYP17A1 (0.44) CTSKCTSSMAPTCA1CA2
SCHEMBL18989589 0.75 CTSK (0.51) CTSKCTSSMAPTATMCTSL
SCHEMBL18989601 0.75 CTSK (0.51) CTSKCTSSMAPTATMCTSL
SCHEMBL6608864 0.75 RAB9A (0.49) CTSKCTSSMAPT

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
EP-1748985-A1 CYCLIC AMIDE DERIVATIVES, AND THEIR PRODUCTION AND USE AS ANTITHROMBOTIC AGENTS Takeda Pharmaceutical Company Limited (JP) 2007-02-07 EP disclosed
WO-2005113504-A1 CYCLIC AMIDE DERIVATIVES, AND THEIR PRODUCTION AND USE AS ANTITHROMBOTIC AGENTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-01 WO disclosed