SCHEMBL5191609

SCHEMBL5191609

CCOc1cc(C(C#N)=Cc2cccc(NC(=O)CN)c2)ccc1OC

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 15/20 0.57
▸ PDE4B Q07343 15/20 0.57
▸ PDE4C Q08493 15/20 0.57
▸ PDE4D Q08499 15/20 0.57
▸ KLK7 P49862 1/20 0.45
▸ KLK14 Q9P0G3 1/20 0.45
▸ ST14 Q9Y5Y6 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ GAA P10253 1/20 0.44

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
SCHEMBL5281129 0.87 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DKDM4E
Hydrochloric Acid SCHEMBL5191755 0.86 PDE4A (0.70) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL5607386 0.86 PDE4A (0.70) PDE4APDE4BPDE4CPDE4D
SCHEMBL4821919 0.82 PDE4A (0.77) PDE4APDE4BPDE4CPDE4D
SCHEMBL4821925 0.82 PDE4A (0.77) PDE4APDE4BPDE4CPDE4D
SCHEMBL4991343 0.81 POLB (0.60) MAPTALDH1A1
SCHEMBL4991334 0.81 POLB (0.60) MAPTALDH1A1
SCHEMBL5190968 0.79 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL5191050 0.78 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DKDM4E
Hydrochloric Acid SCHEMBL5189819 0.78 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799634-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2007-06-27 — — EP disclosed
WO-2006026747-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2006-03-09 — — WO disclosed
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