SCHEMBL4390951

SCHEMBL4390951

CCCCOC(=O)NCCOCC#Cc1ccc2c(c1)c(=O)c(C(=O)OCC)cn2CC

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
HPGD P15428 4/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
POLB P06746 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 3/20 0.39
TSHR P16473 2/20 0.39
RAB9A P51151 1/20 0.39
CNR2 P34972 3/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL3815499 0.89 LMNA (0.50) LMNAHPGDKMT2AMEN1MAPT
SCHEMBL4397941 0.83 LMNA (0.52) LMNAHPGDKMT2AMEN1MAPT
SCHEMBL5433689 0.82 LMNA (0.53) LMNAHPGDKMT2AMEN1MAPT
SCHEMBL3816692 0.79 KDM4E (0.47) LMNAHPGDKMT2AMEN1MAPT
SCHEMBL5680540 0.79 LMNA (0.52) LMNAHPGDKMT2AMEN1MAPT
SCHEMBL3982923 0.79 LMNA (0.65) LMNAHPGDKMT2AMEN1MAPT
SCHEMBL3816951 0.78 KDM4E (0.46) LMNAHPGDKMT2AMEN1POLB
SCHEMBL3291116 0.78 LMNA (0.37) LMNAHPGDKMT2AMEN1MAPT
SCHEMBL3974096 0.77 LMNA (0.56) LMNAHPGDKMT2AMEN1MAPT
SCHEMBL5678773 0.77 ADRB2 (0.41) LMNAHPGDKMT2AMEN1MAPT

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