SCHEMBL7360805

SCHEMBL7360805

COc1ccc(C(O)Cc2c(Cl)cncc2Cl)cc1OCCOC(C)C

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.42
PDE4D Q08499 10/20 0.42
PDE4A P27815 5/20 0.42
PDE4C Q08493 5/20 0.42
FDPS P14324 2/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
NFKB1 P19838 1/20 0.36

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
SCHEMBL15753781 0.86 PDE4D (0.53) PDE4BPDE4DPDE4APDE4CTP53
SCHEMBL1616464 0.86 PDE4D (0.53) PDE4BPDE4DPDE4APDE4CTP53
SCHEMBL14164833 0.86 PDE4D (0.53) PDE4BPDE4DPDE4APDE4CTP53
SCHEMBL30362076 0.86 PDE4D (0.53) PDE4BPDE4DPDE4APDE4CTP53
SCHEMBL6858821 0.85 PDE4D (0.45) PDE4BPDE4DPDE4APDE4CTP53
SCHEMBL3550785 0.85 PDE4D (0.48) PDE4BPDE4DPDE4APDE4CTP53
SCHEMBL8890126 0.81 PDE4D (0.45) PDE4BPDE4DPDE4APDE4C
SCHEMBL6865440 0.80 PDE4B (0.42) PDE4BPDE4DPDE4APDE4CTP53
SCHEMBL15763184 0.80 PDE4B (0.60) PDE4BPDE4DPDE4APDE4C
SCHEMBL14458154 0.80 PDE4B (0.60) PDE4BPDE4DPDE4APDE4C

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