SCHEMBL14735868

SCHEMBL14735868

COc1ccc(-c2cccc3c2CCC3=O)c(OCC2(C(=O)OC3CCOC3)CCC2)c1OC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
PDE4D Q08499 12/20 0.37
PDE4A P27815 6/20 0.35
PDE4B Q07343 6/20 0.35
PDE4C Q08493 6/20 0.35
ADAM10 O14672 1/20 0.34
MMP2 P08253 1/20 0.34
TP53 P04637 1/20 0.33
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
TYK2 P29597 2/20 0.32
JAK3 P52333 2/20 0.32
IMPDH2 P12268 2/20 0.32
IMPDH1 P20839 1/20 0.32

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
SCHEMBL14734706 1.00 KDM4E (0.39) KDM4EALDH1A1HPGDPDE4DPDE4A
SCHEMBL14735867 1.00 KDM4E (0.39) KDM4EALDH1A1HPGDPDE4DPDE4A
SCHEMBL14737726 0.97 KDM4E (0.40) KDM4EALDH1A1HPGDPDE4DPDE4A
SCHEMBL2592005 0.97 KDM4E (0.40) KDM4EALDH1A1HPGDPDE4DPDE4A
SCHEMBL14738111 0.95 KDM4E (0.40) KDM4EALDH1A1HPGDPDE4DPDE4A
SCHEMBL2588945 0.92 KDM4E (0.41) KDM4EALDH1A1HPGDPDE4DPDE4A
SCHEMBL2584453 0.91 KDM4E (0.43) KDM4EALDH1A1HPGDPDE4DPDE4A
SCHEMBL14738034 0.91 KDM4E (0.43) KDM4EALDH1A1HPGDPDE4DTP53
SCHEMBL14737092 0.91 KDM4E (0.43) KDM4EALDH1A1HPGDPDE4DPDE4A
SCHEMBL2581888 0.91 KDM4E (0.43) KDM4EALDH1A1HPGDPDE4DPDE4A

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-A1 BIARYL PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2013-03-06 EP disclosed