SCHEMBL17599593

SCHEMBL17599593

[CH2]COc1c(-c2ccc3c(c2)COC3=O)ccc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 3/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP3A4 P08684 1/20 0.47
PDE4D Q08499 6/20 0.46
ALDH1A1 P00352 1/20 0.43
CYP19A1 P11511 1/20 0.42
ABCG2 Q9UNQ0 2/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
IMPDH2 P12268 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL2591436 0.88 PDE4D (0.48) PRF1LMNAKDM4ECYP3A4PDE4D
SCHEMBL2596115 0.88 CYP3A4 (0.51) PRF1LMNAKDM4ECYP3A4PDE4D
SCHEMBL7716197 0.87 PRF1 (0.46) PRF1LMNAKDM4ECYP3A4PDE4D
SCHEMBL2593958 0.86 PDE4D (0.47) PRF1LMNAKDM4ECYP3A4PDE4D
SCHEMBL2585895 0.86 PDE4D (0.48) PRF1LMNAKDM4ECYP3A4PDE4D
SCHEMBL2589787 0.86 PRF1 (0.48) PRF1LMNAKDM4ECYP3A4PDE4D
SCHEMBL17599585 0.85 PDE4D (0.48) PRF1LMNAKDM4ECYP3A4PDE4D
SCHEMBL2584360 0.85 PRF1 (0.48) PRF1LMNAKDM4ECYP3A4PDE4D
SCHEMBL2592360 0.85 PRF1 (0.51) PRF1LMNAKDM4ECYP3A4PDE4D
SCHEMBL7713010 0.84 PDE4D (0.50) PRF1LMNAKDM4ECYP3A4PDE4D

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
EP-2563770-B1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2016-03-23 EP disclosed