SCHEMBL13637112

SCHEMBL13637112

Cc1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.58
HRH3 Q9Y5N1 1/20 0.52
CHEK2 O96017 1/20 0.49
ALDH1A1 P00352 1/20 0.48
PDE4A P27815 2/20 0.47
PDE4B Q07343 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
KMT2A Q03164 1/20 0.46
NPBWR1 P48145 1/20 0.45
MCHR1 Q99705 1/20 0.45

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
SCHEMBL21570073 0.87 GPR119 (0.57) GPR119HRH3CHEK2ALDH1A1PDE4A
SCHEMBL20570284 0.87 GPR119 (0.57) GPR119HRH3CHEK2ALDH1A1PDE4A
SCHEMBL74203 0.86 GPR119 (0.67) GPR119HRH3CHEK2ALDH1A1PDE4A
SCHEMBL25155272 0.86 GPR119 (0.56) GPR119HRH3CHEK2ALDH1A1PDE4A
SCHEMBL7334972 0.86 GPR119 (0.56) GPR119HRH3CHEK2ALDH1A1PDE4A
SCHEMBL31360100 0.86 GPR119 (0.56) GPR119HRH3CHEK2ALDH1A1PDE4A
SCHEMBL1809399 0.85 GPR119 (0.57) GPR119HRH3CHEK2PDE4APDE4B
SCHEMBL30876497 0.85 GPR119 (0.57) GPR119HRH3CHEK2PDE4APDE4B
SCHEMBL1134253 0.85 GPR119 (0.55) GPR119HRH3CHEK2ALDH1A1PDE4A
SCHEMBL848331 0.84 GPR119 (0.57) GPR119HRH3CHEK2ALDH1A1PDE4A

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-2009140309-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2009-11-19 WO disclosed