SCHEMBL2772270

SCHEMBL2772270

CC(O)Cc1oc(=O)c2ccccc2c1-c1ccc(OC2CCCC2)c(OC(C)C(N)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 10/20 0.49
▸ PDE4B Q07343 7/20 0.49
▸ PDE4C Q08493 7/20 0.49
▸ PDE4D Q08499 7/20 0.49
▸ PDE7A Q13946 1/20 0.49
▸ ADRB3 P13945 7/20 0.37
▸ ADRB1 P08588 4/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PTPN1 P18031 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
SCHEMBL2770833 0.88 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2788977 0.86 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2785376 0.85 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2789925 0.85 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2771452 0.84 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2772266 0.84 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2772806 0.77 KDM4E (0.48) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL2785822 0.75 PDE4B (0.41) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2773020 0.75 KMT2A (0.43) MEN1ALDH1A1GAAKMT2ASMN1; SMN2
SCHEMBL2772268 0.74 KMT2A (0.44) 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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