SCHEMBL12432121

SCHEMBL12432121

N#Cc1ccc(Oc2ccc3c(c2)COB3O)c(OCC(=O)CC=O)c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.57
PDE4A P27815 13/20 0.57
PDE4C Q08493 10/20 0.57
PDE4D Q08499 10/20 0.57
CHRM1 P11229 1/20 0.57
ADRA1A P35348 1/20 0.57
PDE1A P54750 1/20 0.57
PDE3B Q13370 1/20 0.57
PDE7A Q13946 1/20 0.57
PDE3A Q14432 1/20 0.57

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
SCHEMBL2526103 0.88 PDE4B (0.62) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL12432123 0.85 PDE4B (0.68) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL2528061 0.85 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL8005716 0.84 PDE4B (0.62) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL2527995 0.84 PDE4B (0.57) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL8005096 0.83 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL2528591 0.83 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL8007303 0.81 PDE4B (0.65) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL7995515 0.81 PDE4B (0.54) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL2531380 0.81 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DCHRM1

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-2011094450-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC (US) 2011-08-04 WO disclosed