SCHEMBL7427328

SCHEMBL7427328

COC(=O)c1ccc(C)c(OC2CCOCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 14/20 0.53
PDE4A P27815 9/20 0.53
PDE4B Q07343 9/20 0.53
PDE4C Q08493 9/20 0.53
KAT2B Q92831 1/20 0.48
BAZ2B Q9UIF8 1/20 0.48
NOTUM Q6P988 1/20 0.48
TBK1 Q9UHD2 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
MGLL Q99685 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL23704079 0.90 NOTUM (0.54) PDE4DPDE4APDE4BPDE4CNOTUM
SCHEMBL30117191 0.90 NOTUM (0.54) PDE4DPDE4APDE4BPDE4CNOTUM
SCHEMBL15595474 0.86 PDE4D (0.70) PDE4DPDE4APDE4BPDE4C
SCHEMBL7361375 0.86 PDE4D (0.52) PDE4DPDE4APDE4BPDE4CKAT2B
SCHEMBL72571 0.84 NOTUM (0.48) PDE4DPDE4APDE4BPDE4CNOTUM
SCHEMBL7360845 0.83 PDE4D (0.50) PDE4DPDE4APDE4BPDE4CKAT2B
Hydrochloric Acid SCHEMBL72570 0.83 NOTUM (0.47) PDE4DPDE4APDE4BPDE4CNOTUM
SCHEMBL7355219 0.82 PDE4D (0.49) PDE4DPDE4APDE4BPDE4CKAT2B
SCHEMBL30915196 0.80 PDE4D (0.56) PDE4DPDE4APDE4BPDE4CALOX15
SCHEMBL2587167 0.79 PDE4D (0.71) PDE4DPDE4APDE4BPDE4C

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