SCHEMBL7363191

SCHEMBL7363191

COC(C)CCOc1cc(C(=O)Nc2c(Cl)cncc2Cl)ccc1SC

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 17/20 0.56
PDE4D Q08499 12/20 0.56
PDE4A P27815 3/20 0.56
PDE4C Q08493 3/20 0.56
CYP2B6 P20813 1/20 0.51
ABCB11 O95342 1/20 0.46
GFER P55789 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
SCHEMBL7361140 0.87 PDE4B (0.74) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL7357327 0.84 PDE4D (0.56) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL7351599 0.81 PDE4D (0.60) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL7357334 0.81 PDE4D (0.57) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL7355483 0.79 MAPT (0.40)
SCHEMBL7352361 0.79 TAS1R3 (0.37) PDE4B
SCHEMBL7361019 0.79 PDE4D (0.57) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL7362514 0.78 MAPK1 (0.43)
SCHEMBL7355660 0.74 PDE4D (0.74) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL7356619 0.74 PDE4B (0.76) PDE4BPDE4DPDE4APDE4CCYP2B6

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 6 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 claimed
EP-0741707-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1996-11-13 EP claimed
WO-1995020578-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-08-03 WO claimed
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