SCHEMBL28816702

SCHEMBL28816702

COc1ccc(/C(=C\C#N)c2ccccc2O)cc1OC

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 0.71
PDE4B Q07343 19/20 0.71
PDE4C Q08493 19/20 0.71
PDE4D Q08499 19/20 0.71
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL825369 0.84 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL4818718 0.83 PDE4A (0.66) PDE4APDE4BPDE4CPDE4D
SCHEMBL4818722 0.83 PDE4A (0.66) PDE4APDE4BPDE4CPDE4D
SCHEMBL4816289 0.83 PDE4A (0.85) PDE4APDE4BPDE4CPDE4D
SCHEMBL4816284 0.83 PDE4A (0.85) PDE4APDE4BPDE4CPDE4D
SCHEMBL13986023 0.83 PDE4A (0.69) PDE4APDE4BPDE4CPDE4D
SCHEMBL13984813 0.83 PDE4A (0.69) PDE4APDE4BPDE4CPDE4D
SCHEMBL4824892 0.80 PDE4A (0.78) PDE4APDE4BPDE4CPDE4D
SCHEMBL8526041 0.80 PDE4A (0.78) PDE4APDE4BPDE4CPDE4D
SCHEMBL8526044 0.80 PDE4A (0.78) PDE4APDE4BPDE4CPDE4D

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
CN-104744263-A Novel method for efficiently synthesizing 6-hydroxy-2,3-dimethoxy-9-phenanthrenecarboxylic acid methyl ester UNIV NANKAI 2015-07-01 CN claimed