SCHEMBL2771452

SCHEMBL2771452

CC(O)Cc1oc(=O)c2ccccc2c1-c1ccc(OC2CCCC2)c(OCc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 10/20 0.52
▸ PDE4B Q07343 7/20 0.52
▸ PDE4C Q08493 6/20 0.52
▸ PDE4D Q08499 6/20 0.52
▸ PDE7A Q13946 1/20 0.52
▸ C5AR1 P21730 1/20 0.40
▸ HTR2C P28335 2/20 0.39
▸ HTR2B P41595 2/20 0.39
▸ ADRB1 P08588 1/20 0.38
▸ ADRB3 P13945 1/20 0.38
▸ PTPN1 P18031 2/20 0.36
▸ CYP1A1 P04798 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36

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
SCHEMBL2788977 0.90 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2770833 0.88 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2785376 0.88 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2786982 0.87 PDE4D (0.41) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2771247 0.86 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DCYP1A1
SCHEMBL2789925 0.86 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2773724 0.85 CYP1A1 (0.46) PDE4APDE4BPDE4CPDE4DCYP1A1
SCHEMBL2772270 0.84 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2785396 0.83 KDM4E (0.42) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2771449 0.82 PDE4A (0.76) 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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