SCHEMBL1029901

SCHEMBL1029901

COc1ccc(C(=Cc2c(Cl)cncc2Cl)OC(=O)c2ccc(N)cc2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 5/20 0.51
PDE4A P27815 3/20 0.51
PDE4B Q07343 3/20 0.51
PDE4C Q08493 3/20 0.51
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CYP2B6 P20813 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
CES2 O00748 1/20 0.39

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
SCHEMBL1029900 1.00 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CCA1
SCHEMBL1027617 0.90 PDE4D (0.52) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL1027619 0.90 PDE4D (0.52) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL1027012 0.85 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CSMN1; SMN2
SCHEMBL1030403 0.85 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CSMN1; SMN2
SCHEMBL1027013 0.85 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CSMN1; SMN2
SCHEMBL1027684 0.85 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL3193286 0.82 PDE4D (0.61) PDE4DPDE4APDE4BPDE4C
SCHEMBL4885939 0.82 PDE4D (0.61) PDE4DPDE4APDE4BPDE4C
SCHEMBL1030398 0.81 PDE4B (0.77) PDE4DPDE4APDE4BPDE4C

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