SCHEMBL2769824

SCHEMBL2769824

CCOc1cc(-c2c(CC(C)O)oc(=O)c3ccccc23)ccc1OCC1CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 6/20 0.51
▸ PDE4B Q07343 5/20 0.51
▸ PDE4A P27815 4/20 0.51
▸ PDE4C Q08493 4/20 0.51
▸ PDE7A Q13946 1/20 0.51
▸ MAPT P10636 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ CSNK2A2 P19784 1/20 0.36
▸ CSNK2B P67870 1/20 0.36
▸ CSNK2A1 P68400 1/20 0.36
▸ S1PR1 P21453 2/20 0.35
▸ S1PR3 Q99500 2/20 0.35
▸ ALOX5 P09917 1/20 0.34
▸ FPR2 P25090 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL2788405 0.91 PDE4A (0.51) PDE4DPDE4BPDE4APDE4CPDE7A
SCHEMBL2786982 0.90 PDE4D (0.41) PDE4DPDE4BPDE4APDE4CPDE7A
SCHEMBL2785822 0.89 PDE4B (0.41) PDE4DPDE4BPDE4APDE4CPDE7A
SCHEMBL2787871 0.89 PDE4D (0.40) PDE4DPDE4BPDE4APDE4CPDE7A
SCHEMBL2789297 0.87 PDE4A (0.47) PDE4DPDE4BPDE4APDE4CPDE7A
SCHEMBL2788977 0.86 PDE4A (0.64) PDE4DPDE4BPDE4APDE4CPDE7A
SCHEMBL2770600 0.86 PDE4A (0.47) PDE4DPDE4BPDE4APDE4CPDE7A
SCHEMBL2769822 0.81 PDE4A (0.75) PDE4DPDE4BPDE4APDE4CPDE7A
SCHEMBL2772806 0.79 KDM4E (0.48) PDE4DPDE4BPDE4APDE4CMAPT
SCHEMBL2785376 0.79 PDE4A (0.54) PDE4DPDE4BPDE4APDE4CPDE7A

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-2010076564-A2 ISOCHROMENONES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2010-07-08 — — WO disclosed
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