SCHEMBL7714155

SCHEMBL7714155

COc1c(O)ccc(-c2ccc3c(c2)COC3=O)c1OCC1(CO)COC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 8/20 0.41
ACHE P22303 1/20 0.39
POLQ O75417 1/20 0.37
PDE4D Q08499 6/20 0.36
PTPN11 Q06124 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP3A4 P08684 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 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
SCHEMBL7714383 0.92 PRF1 (0.41) PRF1ACHEPOLQPDE4DPTPN11
SCHEMBL2591559 0.90 PDE4D (0.41) PRF1ACHEPDE4DCYP3A4
SCHEMBL2588578 0.88 PRF1 (0.43) PRF1ACHEPDE4DCYP3A4
SCHEMBL2593335 0.88 PDE4D (0.41) PRF1ACHEPDE4D
SCHEMBL2584356 0.85 PRF1 (0.38) PRF1ACHEPDE4D
SCHEMBL7716524 0.83 MAPKAPK2 (0.38) PRF1POLQ
SCHEMBL2592560 0.83 PDE4D (0.38) PRF1PDE4DCYP3A4
SCHEMBL2593322 0.83 PDE4D (0.41) PRF1ACHEPOLQPDE4D
SCHEMBL2584274 0.81 PRF1 (0.42) PRF1PDE4DCYP3A4
SCHEMBL7706042 0.80 PRF1 (0.45) PRF1ACHEPOLQPDE4D

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