SCHEMBL8268733

SCHEMBL8268733

COc1cc(OC)cc(C(=CN)c2ccc(OC)c(NC(=O)CN)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 11/20 0.58
▸ PDE4B Q07343 11/20 0.58
▸ PDE4C Q08493 11/20 0.58
▸ PDE4D Q08499 11/20 0.58
▸ KMT2A Q03164 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ HDAC1 Q13547 3/20 0.45
▸ HDAC6 Q9UBN7 3/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC4 P56524 2/20 0.45

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
SCHEMBL8270573 0.88 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL8315493 0.87 PDE4A (0.76) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL4824785 0.86 PDE4A (0.76) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL4824775 0.86 PDE4A (0.76) PDE4APDE4BPDE4CPDE4D
SCHEMBL8269944 0.84 PDE4A (0.77) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL8315305 0.84 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL8268727 0.80 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL17662314 0.79 KMT2A (0.73) KMT2ANPSR1L3MBTL1MAPTTSHR
SCHEMBL8319800 0.78 PDE4A (0.77) PDE4APDE4BPDE4CPDE4D
SCHEMBL13986036 0.77 PDE4A (0.77) 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 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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