SCHEMBL7358982

SCHEMBL7358982

COc1ccc(C(=O)Nc2cccc(C)c2)cc1OC1CCOC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.76
PDE1A P54750 1/20 0.76
PDE1B Q01064 1/20 0.76
PDE1C Q14123 1/20 0.76
PDE4D Q08499 14/20 0.60
PDE4A P27815 10/20 0.60
PDE4B Q07343 10/20 0.60
PDE4C Q08493 10/20 0.60
MEN1 O00255 1/20 0.55
LMNA P02545 1/20 0.55
TSHR P16473 1/20 0.55
KMT2A Q03164 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
POLB P06746 1/20 0.52
ALDH1A1 P00352 1/20 0.52
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
NFKB1 P19838 1/20 0.51
RAB9A P51151 1/20 0.51
NFKB2 Q00653 1/20 0.51

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
SCHEMBL7362578 0.90 PDE4D (0.74) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL7352967 0.89 PDE5A (0.60) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL7335842 0.86 PDE5A (1.00) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL7357791 0.86 PDE4D (0.75) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL7363154 0.85 PDE4D (0.61) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL7357750 0.84 LMNA (0.68) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL7359057 0.84 KMT2A (0.65) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL7363873 0.83 PDE4D (0.62) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL7362898 0.83 PDE4D (0.59) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL7360234 0.83 PDE4D (0.76) 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 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