SCHEMBL2596115

SCHEMBL2596115

[CH2]Oc1c(-c2ccc3c(c2)COC3=O)ccc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.51
LMNA P02545 3/20 0.51
KDM4E B2RXH2 1/20 0.51
PRF1 P14222 5/20 0.51
PDE4D Q08499 4/20 0.49
CYP19A1 P11511 2/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPT P10636 2/20 0.43
IMPDH2 P12268 1/20 0.43
HTT P42858 1/20 0.43
GAA P10253 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
SCHEMBL17599593 0.88 PRF1 (0.47) CYP3A4LMNAKDM4EPRF1PDE4D
SCHEMBL2589152 0.85 PRF1 (0.47) CYP3A4LMNAKDM4EPRF1PDE4D
SCHEMBL2591436 0.85 PDE4D (0.48) CYP3A4LMNAKDM4EPRF1PDE4D
SCHEMBL2593168 0.85 CYP3A4 (0.51) CYP3A4LMNAKDM4EPRF1PDE4D
SCHEMBL2581714 0.85 LMNA (0.55) CYP3A4LMNAKDM4EPRF1PDE4D
SCHEMBL7716197 0.84 PRF1 (0.46) CYP3A4LMNAKDM4EPRF1PDE4D
SCHEMBL2592360 0.84 PRF1 (0.51) CYP3A4LMNAKDM4EPRF1PDE4D
SCHEMBL2589787 0.83 PRF1 (0.48) CYP3A4LMNAKDM4EPRF1PDE4D
SCHEMBL2585895 0.83 PDE4D (0.48) CYP3A4LMNAKDM4EPRF1PDE4D
SCHEMBL2593958 0.83 PDE4D (0.47) CYP3A4LMNAKDM4EPRF1PDE4D

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-2011134468-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2011-11-03 WO disclosed