SCHEMBL16622505

SCHEMBL16622505

CCCOCCNC(=O)c1cccc(=O)n1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.51
MMP1 P03956 1/20 0.49
MMP3 P08254 1/20 0.49
MMP7 P09237 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMP12 P39900 1/20 0.49
MMP13 P45452 1/20 0.49
NAMPT P43490 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
NR1I2 O75469 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
TSHR P16473 2/20 0.36
ASAH1 Q13510 1/20 0.36
HSD17B10 Q99714 2/20 0.36

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
SCHEMBL13469136 0.93 IDH1 (0.58) IDH1MMP1MMP3MMP7MMP9
SCHEMBL19978233 0.86 IDH1 (0.60) IDH1MMP1MMP3MMP7MMP9
SCHEMBL21322283 0.81 IDH1 (0.46) IDH1MMP1MMP3MMP7MMP9
SCHEMBL15314088 0.81 IDH1 (0.54) IDH1MMP1MMP3MMP7MMP9
SCHEMBL11990344 0.80 IDH1 (0.50) IDH1MMP1MMP3MMP7MMP9
SCHEMBL15314081 0.80 LIPG (0.47) IDH1MMP1MMP3MMP7MMP9
SCHEMBL18427362 0.79 IDH1 (0.64) IDH1MMP1MMP3MMP7MMP9
SCHEMBL13469336 0.79 IDH1 (0.64) IDH1MMP1MMP3MMP7MMP9
SCHEMBL13469343 0.79 IDH1 (0.64) IDH1MMP1MMP3MMP7MMP9
SCHEMBL13531440 0.79 IDH1 (0.49) IDH1MMP1MMP3MMP7MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044090-B1 LUMINESCENT 1-HYDROXY-2-PYRIDINONE CHELATES OF LANTHANIDES UNIV CALIFORNIA (US) 2015-04-08 EP disclosed