SCHEMBL2770595

SCHEMBL2770595

CCCCOc1ccc(-c2c(C(C)(C)O)oc(=O)c3ccccc23)cc1OCC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.70
▸ PDE4B Q07343 1/20 0.70
▸ PDE4C Q08493 1/20 0.70
▸ PDE4D Q08499 1/20 0.70
▸ PDE7A Q13946 1/20 0.70
▸ TP53 P04637 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ CDC25A P30304 1/20 0.40
▸ CDC25B P30305 1/20 0.40
▸ CDC25C P30307 1/20 0.40
▸ CSNK2A2 P19784 1/20 0.39
▸ CSNK2B P67870 1/20 0.39
▸ CSNK2A1 P68400 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ ALOX5 P09917 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36

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
SCHEMBL7924364 0.97 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2788402 0.94 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2771440 0.92 PDE4B (0.59) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2773801 0.92 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2785394 0.90 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL7925362 0.90 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2787887 0.89 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2787042 0.89 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL7924367 0.89 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2789292 0.87 PDE4A (0.69) 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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