SCHEMBL2769822

SCHEMBL2769822

CCOc1cc(-c2c(C(C)(C)O)oc(=O)c3ccccc23)ccc1OCC1CC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 3/20 0.75
▸ PDE4B Q07343 3/20 0.75
▸ PDE4C Q08493 3/20 0.75
▸ PDE4D Q08499 3/20 0.75
▸ PDE7A Q13946 1/20 0.75
▸ TP53 P04637 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.37
▸ LMNA P02545 3/20 0.37
▸ FPR2 P25090 1/20 0.37
▸ CSNK2A2 P19784 1/20 0.37
▸ CSNK2B P67870 1/20 0.37
▸ CSNK2A1 P68400 1/20 0.37
▸ TSHR P16473 3/20 0.36
▸ ALOX5 P09917 1/20 0.35
▸ HTT P42858 2/20 0.35
▸ MCOLN3 Q8TDD5 1/20 0.35
▸ RIPK1 Q13546 1/20 0.34
▸ S1PR1 P21453 1/20 0.34

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
SCHEMBL7924367 0.92 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2788402 0.91 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2786980 0.90 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2785816 0.89 PDE4B (0.60) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2787869 0.88 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2788971 0.86 PDE4A (0.93) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2770595 0.85 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL7932850 0.85 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2789292 0.84 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL7924364 0.82 PDE4A (0.65) 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