SCHEMBL1026451

SCHEMBL1026451

COc1ccc(C(=Cc2c(Cl)cncc2Cl)OC(=O)c2cccc(OCc3ccccc3)c2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.49
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GRK2 P25098 1/20 0.44
GRK5 P34947 1/20 0.44
GRK3 P35626 1/20 0.44
MAOB P27338 1/20 0.43
NR4A2 P43354 1/20 0.43
LMNA P02545 1/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
SMPD1 P17405 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL1026450 1.00 PDE4D (0.49) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL1027708 0.92 PDE4D (0.54) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL1027709 0.92 PDE4D (0.54) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL1081724 0.83 PDE4A (0.55) PDE4DPDE4APDE4BPDE4CHDAC1
SCHEMBL1032139 0.81 PDE4D (0.52) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL1032137 0.81 PDE4D (0.52) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL1027619 0.80 PDE4D (0.52) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL1027617 0.80 PDE4D (0.52) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL4881516 0.78 ALDH1A1 (0.48) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL4881513 0.78 ALDH1A1 (0.48) PDE4DPDE4APDE4BPDE4CNPC1

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
EP-2044023-B1 DERIVATIVES OF 1-PHENYL-2-PYRIDYNYL ALKYLENE ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMA SPA (IT) 2011-01-19 EP disclosed