SCHEMBL2787871

SCHEMBL2787871

CC(O)Cc1oc(=O)c2ccccc2c1-c1ccc(OCC2CC2)c(O)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 4/20 0.40
▸ PDE4B Q07343 4/20 0.40
▸ PDE4A P27815 3/20 0.40
▸ PDE4C Q08493 3/20 0.40
▸ PDE7A Q13946 1/20 0.40
▸ PTGES O14684 3/20 0.39
▸ SIRT1 Q96EB6 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ALOX5 P09917 2/20 0.33
▸ BRD4 O60885 2/20 0.33
▸ EYA3 Q99504 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL2769824 0.89 PDE4D (0.51) PDE4DPDE4BPDE4APDE4CPDE7A
SCHEMBL2786982 0.86 PDE4D (0.41) PDE4DPDE4BPDE4APDE4CPDE7A
SCHEMBL2805301 0.86 PTGES (0.41) PDE4DPDE4BPDE4APDE4CPDE7A
SCHEMBL2785822 0.86 PDE4B (0.41) PDE4DPDE4BPDE4APDE4CPDE7A
SCHEMBL2771320 0.85 PTGES (0.54) PTGESMEN1ALDH1A1GAAKMT2A
SCHEMBL2789925 0.85 PDE4A (0.52) PDE4DPDE4BPDE4APDE4CPDE7A
SCHEMBL2787046 0.84 PTGES (0.40) PDE4DPDE4BPDE4APDE4CPDE7A
SCHEMBL2787869 0.80 PDE4A (0.61) PDE4DPDE4BPDE4APDE4CPDE7A
SCHEMBL2771225 0.79 PTGES (0.54) PTGESMEN1GAAKMT2ASMN1; SMN2
SCHEMBL2788405 0.79 PDE4A (0.51) PDE4DPDE4BPDE4APDE4CPDE7A

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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