SCHEMBL2566574

SCHEMBL2566574

NC1(OC(=O)OCc2ccccc2)CCOC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
GFER P55789 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HCAR2 Q8TDS4 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
SCHEMBL3028267 0.78 DDB1 (0.46) KMT2AMEN1NPSR1ALDH1A1MAPK1
SCHEMBL6868302 0.74 KMT2A (0.51) KMT2AMEN1NPSR1ALDH1A1MAPK1
SCHEMBL7607904 0.74 DDB1 (0.48) KMT2AMEN1NPSR1ALDH1A1MAPK1
SCHEMBL5358863 0.74 KMT2A (0.54) KMT2AMEN1NPSR1ALDH1A1MAPK1
SCHEMBL15584548 0.73 LMNA (0.50) KMT2AMEN1NPSR1ALDH1A1LMNA
SCHEMBL20599446 0.72 ALDH1A1 (0.46) KMT2AMEN1NPSR1ALDH1A1MAPK1
SCHEMBL5269333 0.71 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1MAPK1L3MBTL1
SCHEMBL185116 0.70 LMNA (0.40) NPSR1ALDH1A1L3MBTL1TDP1LMNA
SCHEMBL7606349 0.70 DDB1 (0.44) KMT2AMEN1NPSR1ALDH1A1MAPK1
SCHEMBL37382 0.70 ALDH1A1 (0.68) KMT2AALDH1A1MAPK1L3MBTL1SLC6A2

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-1899330-B9 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2011-11-09 EP disclosed
EP-1899330-B1 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2010-11-24 EP disclosed
EP-1899330-A1 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT Boehringer Ingelheim International GmbH (DE) 2008-03-19 EP disclosed
WO-2007003536-A1 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-11 WO disclosed