SCHEMBL4389744

SCHEMBL4389744

CCOC(=O)NCCc1ccc2c(c1)c(=O)c(C(=O)OCC)cn2CC

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.63
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
HPGD P15428 3/20 0.52
MAPT P10636 1/20 0.52
THRB P10828 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
PDE4A P27815 3/20 0.51
PDE4B Q07343 3/20 0.51
PDE4C Q08493 3/20 0.51
PDE4D Q08499 3/20 0.51
POLB P06746 2/20 0.49
TP53 P04637 1/20 0.48
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL5432054 0.86 LMNA (0.54) LMNAKMT2AMEN1HPGDMAPT
SCHEMBL27713849 0.86 LMNA (0.69) LMNAKMT2AMEN1HPGDMAPT
SCHEMBL3982430 0.86 LMNA (0.56) LMNAKMT2AMEN1HPGDMAPT
SCHEMBL7284037 0.85 LMNA (0.76) LMNAKMT2AMEN1HPGDMAPT
SCHEMBL4391074 0.85 LMNA (0.68) LMNAKMT2AMEN1HPGDMAPT
SCHEMBL4397941 0.85 LMNA (0.52) LMNAKMT2AMEN1HPGDMAPT
SCHEMBL4172191 0.84 LMNA (0.67) LMNAKMT2AMEN1HPGDMAPT
Iodide SCHEMBL4391070 0.84 LMNA (0.67) LMNAKMT2AMEN1HPGDMAPT
SCHEMBL3978265 0.83 LMNA (0.65) LMNAKMT2AMEN1HPGDMAPT
SCHEMBL4392574 0.83 LMNA (0.52) LMNAKMT2AMEN1HPGDMAPT

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-1628990-B1 NOVEL 14 AND 15 MEMBERED RING COMPOUNDS GLAXO GROUP LTD (GB) 2009-12-02 EP disclosed
US-20070141276-A1 Novel 14 and 15 membered ring compounds GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
EP-1628990-A1 NOVEL 14 AND 15 MEMBERED RING COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-03-01 EP disclosed
WO-2004101588-A1 NOVEL 14 AND 15 MEMBERED RING COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-11-25 WO disclosed