SCHEMBL5193830

SCHEMBL5193830

COc1cccc(C(=CC#N)c2cccc(OCc3ccccc3)c2)c1OC

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.49
PDE4B Q07343 7/20 0.49
PDE4C Q08493 7/20 0.49
PDE4D Q08499 7/20 0.49
MAOB P27338 2/20 0.47
NR4A2 P43354 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
BCHE P06276 3/20 0.43
SMPD1 P17405 1/20 0.43
ERN1 O75460 1/20 0.42
MRGPRX4 Q96LA9 2/20 0.42
SRD5A2 P31213 1/20 0.42
GUSB P08236 1/20 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
SCHEMBL5193866 0.82 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL4816894 0.82 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL4816890 0.82 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL5191123 0.82 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL5189871 0.81 MAOB (0.59) MAOBNR4A2NPC1RAB9ABCHE
SCHEMBL4824587 0.79 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL4824599 0.79 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL13984813 0.78 PDE4A (0.69) PDE4APDE4BPDE4CPDE4D
SCHEMBL13986023 0.78 PDE4A (0.69) PDE4APDE4BPDE4CPDE4D
SCHEMBL4818836 0.70 PDE4A (0.68) 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
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