SCHEMBL15319115

SCHEMBL15319115

CC(C=CN)N(OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.46
NPSR1 Q6W5P4 1/20 0.40
LTA4H P09960 1/20 0.40
PPARA Q07869 2/20 0.39
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
ALOX5 P09917 1/20 0.37
SYK P43405 1/20 0.37
PPARG P37231 1/20 0.35

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
SCHEMBL15319114 1.00 L3MBTL1 (0.46) L3MBTL1NPSR1LTA4HPPARAHDAC3
SCHEMBL15318910 0.89 L3MBTL1 (0.47) L3MBTL1NPSR1LTA4HPPARAHDAC3
SCHEMBL15318912 0.89 L3MBTL1 (0.47) L3MBTL1NPSR1LTA4HPPARAHDAC3
SCHEMBL1913579 0.86 L3MBTL1 (0.49) L3MBTL1NPSR1LTA4HPPARAHDAC3
SCHEMBL1913578 0.86 L3MBTL1 (0.49) L3MBTL1NPSR1LTA4HPPARAHDAC3
SCHEMBL15319103 0.84 ALOX5 (0.41) L3MBTL1LTA4HALOX5
SCHEMBL8300754 0.82 L3MBTL1 (0.52) L3MBTL1NPSR1PPARAHDAC3HDAC1
SCHEMBL2944484 0.80 L3MBTL1 (0.50) L3MBTL1NPSR1PPARAHDAC3HDAC1
SCHEMBL7616466 0.78 L3MBTL1 (0.51) L3MBTL1NPSR1PPARAHDAC3HDAC1
SCHEMBL10667221 0.78 L3MBTL1 (0.46) L3MBTL1NPSR1LTA4HPPARAHDAC3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2834239-A1 HETEROBICYCLIC COMPOUNDS AS BETA-LACTAMASE INHIBITORS Astrazeneca AB (SE) 2015-02-11 EP disclosed
WO-2013150296-A1 HETEROBICYCLIC COMPOUNDS AS BETA-LACTAMASE INHIBITORS ASTRAZENECA AB (SE) 2013-10-10 WO disclosed