SCHEMBL5193634

SCHEMBL5193634

CCOc1cc(C(C#N)=Cc2ccc(OC)c(OC(=O)CNC(=O)OC(C)(C)C)c2)ccc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 8/20 0.48
▸ PDE4B Q07343 8/20 0.48
▸ PDE4C Q08493 8/20 0.48
▸ PDE4D Q08499 8/20 0.48
▸ KDM4E B2RXH2 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ PTPN7 P35236 1/20 0.43
▸ PTPN12 Q05209 1/20 0.43
▸ PTPN22 Q9Y2R2 1/20 0.43
▸ TUBB4A P04350 2/20 0.42
▸ TUBB P07437 2/20 0.42
▸ TUBA3C P0DPH7 2/20 0.42
▸ TUBA1B P68363 2/20 0.42
▸ TUBA4A P68366 2/20 0.42
▸ TUBB4B P68371 2/20 0.42
▸ TUBB3 Q13509 2/20 0.42
▸ TUBB2A Q13885 2/20 0.42
▸ TUBB8 Q3ZCM7 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
SCHEMBL5191000 0.87 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL5193627 0.84 PDE4A (0.69) PDE4APDE4BPDE4CPDE4D
SCHEMBL4992230 0.79 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL4992218 0.79 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL5191708 0.79 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL5607483 0.78 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL5207285 0.77 TUBB4A (0.69) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL5207291 0.77 TUBB4A (0.69) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL5606774 0.77 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8373483 0.76 TUBB1 (0.68) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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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