SCHEMBL2769591

SCHEMBL2769591

COc1ccc(-c2c(C(C)(C)O)oc(=O)c3ccccc23)cc1OCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.57
▸ PDE4B Q07343 1/20 0.57
▸ PDE4C Q08493 1/20 0.57
▸ PDE4D Q08499 1/20 0.57
▸ PDE7A Q13946 1/20 0.57
▸ POLB P06746 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ TP53 P04637 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CTSD P07339 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42

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
SCHEMBL2773077 0.96 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2773014 0.92 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2772262 0.89 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2772803 0.88 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2771245 0.88 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2771440 0.86 PDE4B (0.59) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2773721 0.84 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2771574 0.83 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2788402 0.83 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2772272 0.82 PDE4A (0.54) 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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