SCHEMBL2785396

SCHEMBL2785396

CCCCOc1ccc(-c2c(CC(C)O)oc(=O)c3ccccc23)cc1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ C5AR1 P21730 1/20 0.41
▸ CYP1A1 P04798 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ MAOB P27338 3/20 0.39
▸ PDE4A P27815 2/20 0.39
▸ PDE4B Q07343 2/20 0.39
▸ PDE4C Q08493 2/20 0.39
▸ PDE4D Q08499 2/20 0.39
▸ PDE7A Q13946 1/20 0.39
▸ PTGES O14684 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ PTPN1 P18031 2/20 0.38
▸ CDC25A P30304 1/20 0.37
▸ CDC25B P30305 1/20 0.37
▸ CDC25C P30307 1/20 0.37
▸ TP53 P04637 2/20 0.36
▸ MEN1 O00255 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
SCHEMBL2770600 0.91 PDE4A (0.47) TDP1PDE4APDE4BPDE4CPDE4D
SCHEMBL2771444 0.89 SMPD1 (0.42) KDM4EMAOBPDE4APDE4BPDE4C
SCHEMBL2773803 0.89 PDE4A (0.41) KDM4EMAOBPDE4APDE4BPDE4C
SCHEMBL2773724 0.89 CYP1A1 (0.46) KDM4ECYP1A1CYP1A2PDE4APDE4B
SCHEMBL2771247 0.89 PDE4A (0.46) KDM4ECYP1A1CYP1A2PDE4APDE4B
SCHEMBL2787889 0.86 PDE4A (0.38) KDM4EMAOBPDE4APDE4BPDE4C
SCHEMBL2787046 0.86 PTGES (0.40) TDP1PDE4APDE4BPDE4CPDE4D
SCHEMBL2786982 0.86 PDE4D (0.41) KDM4ETDP1C5AR1CYP1A1CYP1A2
SCHEMBL2774638 0.85 TP53 (0.40) KDM4ETDP1CYP1A1CYP1A2PDE4A
SCHEMBL2788405 0.84 PDE4A (0.51) KDM4EPDE4APDE4BPDE4CPDE4D

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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