SCHEMBL2787889

SCHEMBL2787889

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ PDE7A Q13946 1/20 0.38
▸ PSMD14 O00487 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ PTPN1 P18031 1/20 0.36
▸ CDC25A P30304 1/20 0.36
▸ CDC25B P30305 1/20 0.36
▸ CDC25C P30307 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ GAA P10253 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ SMPD1 P17405 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 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
SCHEMBL2771444 0.90 SMPD1 (0.42) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2773020 0.90 KMT2A (0.43) PSMD14MMP2BLMMEN1KMT2A
SCHEMBL2770600 0.90 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2791143 0.89 DHODH (0.42) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2772268 0.89 KMT2A (0.44) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2773803 0.88 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2785396 0.86 KDM4E (0.42) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2785822 0.86 PDE4B (0.41) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2787046 0.85 PTGES (0.40) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2788405 0.84 PDE4A (0.51) 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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