SCHEMBL7715046

SCHEMBL7715046

CCNC(=O)OCC1(COc2c(-c3ccc4c(c3)COC4=O)ccc(CC)c2OC)COC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 3/20 0.38
PDE4D Q08499 10/20 0.36
POLQ O75417 1/20 0.36
MAPT P10636 3/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.34
TSHR P16473 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PTPN11 Q06124 1/20 0.33

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
SCHEMBL14735827 0.92 PDE4D (0.41) PRF1PDE4DABCG2PDE4APDE4B
SCHEMBL7714383 0.78 PRF1 (0.41) PRF1PDE4DPOLQMAPTHSD17B10
SCHEMBL2594611 0.78 POLQ (0.36) PRF1POLQTSHR
SCHEMBL2584274 0.77 PRF1 (0.42) PRF1PDE4DKDM4EPDE4APDE4B
SCHEMBL2591559 0.76 PDE4D (0.41) PRF1PDE4DKDM4EPDE4APDE4B
SCHEMBL7714155 0.76 PRF1 (0.41) PRF1PDE4DPOLQMAPTHSD17B10
SCHEMBL2593335 0.76 PDE4D (0.41) PRF1PDE4DPDE4APDE4BPDE4C
SCHEMBL2591212 0.75 PRF1 (0.44) PRF1PDE4DKDM4EPDE4APDE4B
SCHEMBL7716439 0.75 PRF1 (0.43) PRF1PDE4DPOLQMAPTGAA
SCHEMBL14735876 0.75 PDE4D (0.42) PRF1PDE4DMAPTKDM4EABCG2

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