SCHEMBL2791139

SCHEMBL2791139

CC(C)COc1ccc(-c2c(C(C)(C)O)oc(=O)c3ccccc23)cc1OCC(N)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.55
▸ PDE4B Q07343 1/20 0.55
▸ PDE4C Q08493 1/20 0.55
▸ PDE4D Q08499 1/20 0.55
▸ PDE7A Q13946 1/20 0.55
▸ DHODH Q02127 2/20 0.42
▸ PSMD14 O00487 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ KMT2A Q03164 5/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ GAA P10253 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ELANE P08246 1/20 0.35
▸ MAOA P21397 2/20 0.35
▸ MAOB P27338 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ POLB P06746 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
SCHEMBL2773014 0.89 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2772262 0.89 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2789292 0.89 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL7934978 0.88 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2787887 0.87 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL7925362 0.86 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2785816 0.85 PDE4B (0.60) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2805298 0.84 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2791143 0.83 DHODH (0.42) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2771100 0.83 PDE4A (0.75) 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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