SCHEMBL8268707

SCHEMBL8268707

COc1cc(OC)cc(/C(=C/N)c2cc(OC)ccc2OC)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 15/20 0.53
▸ PDE4B Q07343 15/20 0.53
▸ PDE4C Q08493 15/20 0.53
▸ PDE4D Q08499 15/20 0.53
▸ MAPT P10636 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.47
▸ ABCG2 Q9UNQ0 1/20 0.46
▸ POLB P06746 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
SCHEMBL8313341 0.88 ALDH1A1 (0.53) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL8270548 0.87 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL8268708 0.82 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL8319979 0.82 PDE4A (0.50) PDE4APDE4BPDE4CPDE4D
SCHEMBL4818511 0.82 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL4818514 0.82 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL8319800 0.79 PDE4A (0.77) PDE4APDE4BPDE4CPDE4D
SCHEMBL8321025 0.79 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL8271316 0.78 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL8315838 0.77 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DMAPT

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
WO-2006026747-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2006-03-09 — — WO disclosed
WO-2004078144-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2004-09-16 — — WO disclosed
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