SCHEMBL2566720

SCHEMBL2566720

CC(C)(C)OC(=O)NC(C)(CCC(N)=O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 1/20 0.47
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
CTSK P43235 8/20 0.34
CTSS P25774 6/20 0.34
TDP1 Q9NUW8 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33
CA12 O43570 2/20 0.31
CA14 Q9ULX7 2/20 0.31
APLNR P35414 1/20 0.31
ACE P12821 1/20 0.31

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
SCHEMBL8971824 0.86 NAALAD2 (0.65) NAALAD2MEN1GAAKMT2ACTSK
SCHEMBL3031112 0.86 NAALAD2 (0.65) NAALAD2MEN1GAAKMT2ACTSK
SCHEMBL1198859 0.83 NAALAD2 (0.47) NAALAD2MEN1GAAKMT2ACTSK
Hydrochloric Acid SCHEMBL1740503 0.83 NAALAD2 (0.42) NAALAD2MAOAMAOBMEN1GAA
SCHEMBL28168389 0.81 NAALAD2 (0.43) NAALAD2MEN1GAAKMT2ACTSK
SCHEMBL28065098 0.81 TDP1 (0.43) NAALAD2MEN1GAAKMT2ACTSK
SCHEMBL7276633 0.81 NAALAD2 (0.45) NAALAD2MEN1GAAKMT2ACTSK
SCHEMBL15619190 0.79 NAALAD2 (0.42) NAALAD2MEN1GAAKMT2ACTSK
SCHEMBL15619294 0.79 NAALAD2 (0.42) NAALAD2MEN1GAAKMT2ACTSK
SCHEMBL8627281 0.79 NAALAD2 (0.42) NAALAD2MEN1GAAKMT2ACTSK

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