SCHEMBL7361005

SCHEMBL7361005

COc1ccc(NC(C)=O)cc1OC1CCOC1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 15/20 0.58
PDE4B Q07343 9/20 0.58
PDE4A P27815 8/20 0.58
PDE4C Q08493 8/20 0.58
POLB P06746 1/20 0.55
RORC P51449 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL28375853 0.86 PDE4D (0.54) PDE4DPDE4BPDE4APDE4CPOLB
SCHEMBL4967340 0.85 RORC (0.50) PDE4DPDE4BPDE4APDE4CRORC
SCHEMBL4970129 0.85 RORC (0.50) PDE4DPDE4BPDE4APDE4CRORC
SCHEMBL4967351 0.85 RORC (0.50) PDE4DPDE4BPDE4APDE4CRORC
SCHEMBL13343031 0.84 PDE4D (0.72) PDE4DPDE4BPDE4APDE4C
SCHEMBL3371634 0.84 PDE4D (0.72) PDE4DPDE4BPDE4APDE4C
SCHEMBL7353736 0.82 PDE4D (0.51) PDE4DPDE4BPDE4APDE4CPOLB
SCHEMBL7357735 0.82 PDE4D (0.51) PDE4DPDE4BPDE4APDE4CPOLB
SCHEMBL7353716 0.82 PDE4D (0.54) PDE4DPDE4BPDE4APDE4CPOLB
SCHEMBL7359235 0.81 PDE4D (0.59) 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 3 patents. 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 disclosed
EP-0741707-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1996-11-13 EP disclosed
WO-1995020578-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-08-03 WO disclosed