SCHEMBL2788971

SCHEMBL2788971

CCOc1cc(-c2c(C(C)(C)O)oc(=O)c3ccccc23)ccc1OC1CCCC1

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 7/20 0.93
▸ PDE4B Q07343 3/20 0.93
▸ PDE4C Q08493 3/20 0.93
▸ PDE4D Q08499 3/20 0.93
▸ PDE7A Q13946 1/20 0.93
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ TSHR P16473 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ MCOLN3 Q8TDD5 1/20 0.36
▸ SSTR5 P35346 1/20 0.36
▸ CSNK2A2 P19784 1/20 0.36
▸ CSNK2B P67870 1/20 0.36
▸ CSNK2A1 P68400 1/20 0.36
▸ DGAT2 Q96PD7 1/20 0.36
▸ S1PR1 P21453 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
SCHEMBL2787791 0.92 PDE4A (0.85) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2785372 0.92 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2773411 0.92 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2771449 0.90 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2770829 0.89 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2771100 0.89 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2788402 0.88 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2789921 0.86 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2769822 0.86 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2770386 0.84 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DPDE7A

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