SCHEMBL2789297

SCHEMBL2789297

CCOc1cc(-c2c(CC(C)O)oc(=O)c3ccccc23)ccc1OCC(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.47
▸ PDE4B Q07343 1/20 0.47
▸ PDE4C Q08493 1/20 0.47
▸ PDE4D Q08499 1/20 0.47
▸ PDE7A Q13946 1/20 0.47
▸ MAPT P10636 4/20 0.44
▸ TP53 P04637 3/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ DHODH Q02127 2/20 0.42
▸ CSNK2A2 P19784 1/20 0.38
▸ CSNK2B P67870 1/20 0.38
▸ CSNK2A1 P68400 1/20 0.38
▸ ELANE P08246 1/20 0.38
▸ IGF1R P08069 1/20 0.37
▸ ALOX5 P09917 1/20 0.36
▸ S1PR1 P21453 2/20 0.35
▸ S1PR3 Q99500 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 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
SCHEMBL2788405 0.95 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2770600 0.89 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2791143 0.89 DHODH (0.42) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2805301 0.88 PTGES (0.41) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2769824 0.87 PDE4D (0.51) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2788977 0.84 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2789292 0.82 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2772806 0.82 KDM4E (0.48) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL2771444 0.81 SMPD1 (0.42) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2773803 0.81 PDE4A (0.41) 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
Send feedback