SCHEMBL7057683

SCHEMBL7057683

CCn1cc(C(=O)NCCc2cccc(OC)c2OC)c(=O)c2cc3c(cc21)OCO3

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.65
PDE4B Q07343 2/20 0.65
PDE4C Q08493 2/20 0.65
PDE4D Q08499 2/20 0.65
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
ALDH1A1 P00352 4/20 0.54
HPGD P15428 2/20 0.54
KDM4E B2RXH2 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
APEX1 P27695 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
POLB P06746 3/20 0.50
TP53 P04637 4/20 0.49
CNR2 P34972 1/20 0.48
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL7051839 0.84 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL7054220 0.82 PDE4A (0.82) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL7052620 0.79 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL7055286 0.78 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DKMT2A
Hydrochloric Acid SCHEMBL7052441 0.78 PDE4A (0.98) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL10855346 0.78 ALDH1A1 (0.70) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL7057675 0.77 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL7052437 0.77 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL10850233 0.76 ALDH1A1 (0.67) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL10852270 0.76 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0841929-B1 QUINOLONES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-05-07 EP claimed
EP-0841929-B1 QUINOLONES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-05-07 EP disclosed
EP-0841929-A1 QUINOLONES AND THEIR THERAPEUTIC USE Chiroscience Limited (GB) 1998-05-20 EP disclosed
WO-1997004779-A1 QUINOLONES AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1997-02-13 WO disclosed