SCHEMBL8319797

SCHEMBL8319797

CC=C(c1ccc(N)c(OC)c1)c1ccc(OC)c(OC)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 14/20 0.66
PDE4B Q07343 14/20 0.66
PDE4C Q08493 14/20 0.66
PDE4D Q08499 14/20 0.66
CYP3A4 P08684 2/20 0.50
TSHR P16473 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA7 P43166 1/20 0.49
TPMT P51580 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
ALDH1A1 P00352 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL8319942 0.90 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL8322445 0.89 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL8270323 0.87 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL4824534 0.83 PDE4A (0.82) PDE4APDE4BPDE4CPDE4D
SCHEMBL8270352 0.83 PDE4A (0.82) PDE4APDE4BPDE4CPDE4D
SCHEMBL4824530 0.83 PDE4A (0.82) PDE4APDE4BPDE4CPDE4D
SCHEMBL8322454 0.82 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL8270539 0.81 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL4823369 0.81 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL8268692 0.81 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DCYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004078144-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2004-09-16 WO disclosed