SCHEMBL5190968

SCHEMBL5190968

CCOc1cc(C(C#N)=Cc2ccc(NC(C)=O)cc2)ccc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 8/20 0.50
▸ PDE4B Q07343 8/20 0.50
▸ PDE4C Q08493 8/20 0.50
▸ PDE4D Q08499 8/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ KMT2A Q03164 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ CACNA1B Q00975 1/20 0.49
▸ APBA1 Q02410 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ TUBB4A P04350 1/20 0.46
▸ TUBB P07437 1/20 0.46
▸ TUBA3C P0DPH7 1/20 0.46
▸ TUBA1B P68363 1/20 0.46
▸ TUBA4A P68366 1/20 0.46
▸ TUBB4B P68371 1/20 0.46

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
SCHEMBL5191050 0.89 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL4992230 0.82 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL4992218 0.82 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL5191708 0.82 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL4816708 0.81 PDE4A (0.76) PDE4APDE4BPDE4CPDE4D
SCHEMBL4816711 0.81 PDE4A (0.76) PDE4APDE4BPDE4CPDE4D
SCHEMBL6904789 0.80 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DTUBB4A
SCHEMBL6904792 0.80 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DTUBB4A
SCHEMBL5281129 0.80 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL4991343 0.80 POLB (0.60) CYP3A4MAPTALDH1A1TUBB4ATUBB

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
Send feedback