SCHEMBL7995576

SCHEMBL7995576

OB1OCc2cc(Oc3ccc(I)cc3)ccc21

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.76
PDE4A P27815 13/20 0.76
PDE4C Q08493 13/20 0.76
PDE4D Q08499 13/20 0.76
CHRM1 P11229 1/20 0.68
ADRA1A P35348 1/20 0.68
PDE1A P54750 1/20 0.68
PDE3B Q13370 1/20 0.68
PDE7A Q13946 1/20 0.68
PDE3A Q14432 1/20 0.68

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
SCHEMBL24244586 0.90 PDE4B (0.67) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL595809 0.86 PDE4B (1.00) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL5583187 0.86 PDE4B (1.00) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL2527365 0.85 PDE4B (1.00) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL2529551 0.85 PDE4B (0.76) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL2529312 0.85 PDE4B (1.00) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL2531139 0.85 PDE4B (1.00) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL2532096 0.85 PDE4B (1.00) PDE4BPDE4APDE4CPDE4DCHRM1
Hydrochloric Acid SCHEMBL2531676 0.84 PDE4B (0.74) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL5533473 0.84 PDE4B (0.74) 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-2009111676-A2 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC (US) 2009-09-11 WO disclosed