SCHEMBL8557512

SCHEMBL8557512

COc1ccc(C(N)=O)c(-c2c(Cl)cncc2Cl)c1OC1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 16/20 0.51
PDE4B Q07343 11/20 0.44
PDE4A P27815 8/20 0.44
PDE4C Q08493 8/20 0.44
TBK1 Q9UHD2 1/20 0.39

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
SCHEMBL8553863 0.94 PDE4D (0.52) PDE4DPDE4BPDE4APDE4C
SCHEMBL8558524 0.81 PDE4D (0.45) PDE4DPDE4BPDE4APDE4C
SCHEMBL12970631 0.70 PARP15 (0.54) PDE4DPDE4BPDE4APDE4CTBK1
SCHEMBL7352455 0.70 PDE4D (0.70) PDE4DPDE4BPDE4APDE4C
SCHEMBL7354173 0.70 PDE4D (0.83) PDE4DPDE4BPDE4APDE4C
SCHEMBL885060 0.69 PDE4D (0.83) PDE4DPDE4BPDE4APDE4C
Hydrochloric Acid SCHEMBL8479616 0.67 MKNK1 (0.48) PDE4DPDE4BPDE4APDE4C
SCHEMBL7360943 0.67 PDE4D (0.66) PDE4DPDE4BPDE4APDE4C
SCHEMBL7355149 0.66 PDE4D (0.48) PDE4DPDE4BPDE4APDE4C
SCHEMBL8554057 0.66 PDE4A (0.64) PDE4DPDE4BPDE4APDE4C

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-0741707-B1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE POULENC RORER LTD (GB) 1998-04-01 EP claimed