SCHEMBL2773014

SCHEMBL2773014

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.57
▸ PDE4B Q07343 1/20 0.57
▸ PDE4C Q08493 1/20 0.57
▸ PDE4D Q08499 1/20 0.57
▸ PDE7A Q13946 1/20 0.57
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TP53 P04637 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ MAOB P27338 3/20 0.41
▸ MAOA P21397 2/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ PSMD14 O00487 1/20 0.41
▸ MMP2 P08253 1/20 0.41

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
SCHEMBL2772262 0.97 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2769591 0.92 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2787887 0.89 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2791139 0.89 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2772803 0.88 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2785816 0.88 PDE4B (0.60) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2773077 0.88 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2771100 0.87 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2771440 0.86 PDE4B (0.59) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2771245 0.86 PDE4A (0.57) 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 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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