SCHEMBL4544174

SCHEMBL4544174

CCCCOC(=O)NCCOCCCc1ccc2c(c1)c(=O)c(C(=O)O)cn2CC.[NaH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TSHR P16473 1/20 0.50
RAB9A P51151 1/20 0.50
LMNA P02545 3/20 0.43
HTT P42858 1/20 0.43
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
APEX1 P27695 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL4544182 0.98 ALDH1A1 (0.50) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL4397941 0.91 LMNA (0.52) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL4544177 0.91 LMNA (0.42) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL4171969 0.88 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL3812661 0.87 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL4171976 0.86 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL14529470 0.82 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL3812462 0.82 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL3843176 0.81 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL27689609 0.81 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10TSHR

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