SCHEMBL8173646

SCHEMBL8173646

Bc1nccnc1CC(=O)c1ccc(OC)c2c1OC1(CCSCC1)O2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.40
PDE4D Q08499 3/20 0.35
PDE4B Q07343 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
HSP90AA1 P07900 3/20 0.33
KDM4E B2RXH2 2/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HIF1A Q16665 1/20 0.30

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
SCHEMBL13395963 0.89 PDE4A (0.39) PDE4APDE4DPDE4BPDE3BPDE3A
SCHEMBL3306949 0.83 PDE4A (0.44) PDE4APDE4DPDE4BPDE3BPDE3A
SCHEMBL3303735 0.82 PDE4A (0.43) PDE4APDE4DPDE4BPDE3BPDE3A
SCHEMBL3305354 0.80 PDE4A (0.49) PDE4APDE4DPDE4BPDE3BPDE3A
SCHEMBL18857435 0.80 PDE4A (0.48) PDE4APDE4DPDE4BPDE3BPDE3A
SCHEMBL3299351 0.79 PDE4A (0.62) PDE4APDE4DPDE4BPDE3BPDE3A
SCHEMBL3308369 0.79 PDE4A (0.47) PDE4AALDH1A1HSD17B10HIF1A
SCHEMBL3306371 0.78 PDE4A (0.44) PDE4APDE4DPDE4BPDE3BPDE3A
SCHEMBL3305218 0.78 PDE4A (0.45) PDE4APDE4DKDM4ECASP1CASP7
SCHEMBL17375277 0.78 KDM4E (0.54) PDE4APDE4DPDE4BKDM4ECASP1

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-2008104175-A2 NOVEL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2008-09-04 WO disclosed