SCHEMBL5191123

SCHEMBL5191123

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

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 17/20 0.51
PDE4B Q07343 17/20 0.51
PDE4C Q08493 17/20 0.51
PDE4D Q08499 17/20 0.51
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.43
NR1H4 Q96RI1 1/20 0.41

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
SCHEMBL13984813 0.86 PDE4A (0.69) PDE4APDE4BPDE4CPDE4D
SCHEMBL13986023 0.86 PDE4A (0.69) PDE4APDE4BPDE4CPDE4D
SCHEMBL4824587 0.84 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL4824599 0.84 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL5193830 0.82 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL4816638 0.77 PDE4A (0.81) PDE4APDE4BPDE4CPDE4D
SCHEMBL4816624 0.77 PDE4A (0.81) PDE4APDE4BPDE4CPDE4D
SCHEMBL4816602 0.77 PDE4A (0.81) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL5284427 0.74 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL4818140 0.73 PDE4A (0.72) 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