SCHEMBL1027997

SCHEMBL1027997

COc1ccc(C(=Cc2c(Cl)cncc2Cl)OC(=O)N(C)c2ccccc2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
LIPE Q05469 2/20 0.46
PDE4D Q08499 6/20 0.46
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
CYP2B6 P20813 1/20 0.39
TNFRSF1A P19438 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
MAPK14 Q16539 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38

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
SCHEMBL1027996 1.00 L3MBTL1 (0.50) L3MBTL1LIPEPDE4DPDE4APDE4B
SCHEMBL1030605 0.87 PDE4D (0.43) L3MBTL1PDE4DPDE4APDE4BPDE4C
SCHEMBL1030606 0.87 PDE4D (0.43) L3MBTL1PDE4DPDE4APDE4BPDE4C
SCHEMBL4880746 0.81 PDE4D (0.52) PDE4DPDE4APDE4BPDE4CCES2
SCHEMBL1032137 0.81 PDE4D (0.52) L3MBTL1PDE4DPDE4APDE4BPDE4C
SCHEMBL4880751 0.81 PDE4D (0.52) PDE4DPDE4APDE4BPDE4CCES2
SCHEMBL1032139 0.81 PDE4D (0.52) L3MBTL1PDE4DPDE4APDE4BPDE4C
SCHEMBL1031080 0.80 PDE4D (0.46) PDE4DPDE4APDE4BPDE4CCES2
SCHEMBL1081987 0.80 PDE4D (0.46) PDE4DPDE4APDE4BPDE4CCES2
SCHEMBL4881516 0.78 ALDH1A1 (0.48) L3MBTL1PDE4DPDE4APDE4BPDE4C

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