SCHEMBL7426470

SCHEMBL7426470

CCc1ncc(OC2CCCC2)c(OC)c1-c1ccccc1CCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
PDE4A P27815 11/20 0.37
PDE4D Q08499 7/20 0.37
PDE4B Q07343 6/20 0.37
PDE4C Q08493 6/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DRD3 P35462 1/20 0.35
IDO1 P14902 1/20 0.35
IDO2 Q6ZQW0 1/20 0.35
HRH1 P35367 1/20 0.35

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
SCHEMBL7427361 0.80 PDE4D (0.39) PDE4APDE4DPDE4BPDE4C
SCHEMBL7421490 0.79 NFE2L2 (0.39) PDE4APDE4DPDE4BPDE4CMAPT
SCHEMBL7420906 0.78 PDE4A (0.47) PDE4APDE4DPDE4BPDE4C
SCHEMBL7427963 0.77 PDE4A (0.39) PDE4APDE4DPDE4BPDE4C
SCHEMBL7426462 0.74 MEN1 (0.47) PDE4APDE4DPDE4BPDE4CMEN1
SCHEMBL7426452 0.69 PDE4D (0.46) PDE4APDE4DPDE4BPDE4CMEN1
SCHEMBL8688573 0.67 PDE4A (0.50) ABCB1ABCG2PDE4APDE4DPDE4B
SCHEMBL6886859 0.66 PDE4A (0.59) PDE4APDE4DPDE4BPDE4CMEN1
SCHEMBL27657387 0.66 PDE4A (0.56) PDE4APDE4DPDE4BPDE4C
SCHEMBL6882017 0.66 PDE4A (0.56) PDE4APDE4DPDE4BPDE4C

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
US-5780478-A Tetra-substituted phenyl derivatives CELLTECH THERAPEUTICS, LIMITED (GB) 1998-07-14 US claimed