SCHEMBL7356090

SCHEMBL7356090

CCC(OC)Oc1cc(C(=O)Nc2c(Cl)cncc2Cl)cnc1SC

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 16/20 0.49
PDE4B Q07343 16/20 0.49
PDE4A P27815 6/20 0.49
PDE4C Q08493 6/20 0.49
GFER P55789 1/20 0.47
CYP2B6 P20813 1/20 0.46
ABCB11 O95342 1/20 0.43

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
SCHEMBL7390353 0.86 PDE4D (0.51) PDE4DPDE4BPDE4APDE4CGFER
SCHEMBL7356087 0.85 PDE4B (0.48) PDE4DPDE4BPDE4APDE4CGFER
SCHEMBL7357334 0.84 PDE4D (0.57) PDE4DPDE4BPDE4APDE4CGFER
SCHEMBL8558466 0.82 PDE4D (0.50) PDE4DPDE4BPDE4APDE4C
SCHEMBL7353627 0.80 PDE4D (0.74) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL7355273 0.78 PDE4D (0.65) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL7389479 0.76 PDE4D (0.65) PDE4DPDE4BPDE4APDE4CGFER
SCHEMBL7361019 0.75 PDE4D (0.57) PDE4DPDE4BPDE4APDE4CGFER
SCHEMBL7353934 0.73 PDE4B (0.50) PDE4DPDE4BPDE4APDE4CGFER
SCHEMBL7361933 0.72 PDE4D (0.76) PDE4DPDE4BPDE4APDE4CCYP2B6

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