SCHEMBL27775941

SCHEMBL27775941

CC(C)(C)OC(=O)NNC1CCN(C(C)(C)OC=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.39
GAA P10253 1/20 0.38
BTK Q06187 1/20 0.36
KCNA3 P22001 1/20 0.35
EPHX1 P07099 2/20 0.35
HSD11B1 P28845 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 1/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 2/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL12539828 0.83 CTSK (0.44) CTSKGAABTKKCNA3EPHX1
Tert-Butyl Formate SCHEMBL27834962 0.80 GAA (0.39) CTSKGAABTKKCNA3EPHX1
SCHEMBL12539827 0.78 CTSK (0.46) CTSKGAABTKKCNA3EPHX1
SCHEMBL2074992 0.77 GAA (0.51) CTSKGAABTKEPHX1CA1
SCHEMBL12276428 0.77 EPHX1 (0.46) CTSKGAABTKKCNA3EPHX1
SCHEMBL13208 0.76 EPHX1 (0.58) CTSKEPHX1HSD11B1CYP2C9ALDH1A1
SCHEMBL1780744 0.76 CTSK (0.43) CTSKGAABTKKCNA3EPHX1
SCHEMBL3169231 0.76 EPHX2 (0.47) CTSKGAABTKKCNA3EPHX1
SCHEMBL27909015 0.75 TDP1 (0.32)
SCHEMBL27739847 0.74 KCNA3 (0.46) CTSKGAABTKKCNA3EPHX1

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
CN-101668759-A [6,5] -bicyclic GPR119G protein-coupled receptor agonists BRISTOL MYERS SQUIBB CO 2010-03-10 CN disclosed