SCHEMBL27434352

SCHEMBL27434352

CC(=O)NCC(=O)OC(=O)C(=O)OC(=O)CNC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.43
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
RECQL P46063 1/20 0.37
TSHR P16473 3/20 0.36
GAA P10253 2/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
EGLN1 Q9GZT9 1/20 0.33
PAOX Q6QHF9 3/20 0.32
MTNR1A P48039 4/20 0.32
MTNR1B P49286 4/20 0.32
ADRA1A P35348 1/20 0.31
SOAT1 P35610 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL22026738 0.85 TSHR (0.43) TET2KDM4EMAPK1HIF1ARECQL
SCHEMBL468803 0.79
SCHEMBL20129883 0.75
SCHEMBL27517726 0.75
SCHEMBL9130321 0.75
SCHEMBL27785116 0.75
SCHEMBL7660758 0.73 PTPRC (0.40) TET2KDM4EMAPK1HIF1ARECQL
SCHEMBL29040368 0.73 KDM4E (0.37) TET2KDM4EMAPK1HIF1ARECQL
SCHEMBL48270 0.73 GAA (0.59) KDM4ETSHRGAAMGAMSI
SCHEMBL16540757 0.73 KDM4E (0.37) TET2KDM4EMAPK1HIF1ARECQL

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
CN-1121431-A Magnetic resonance imaging contrast medium UNIV WUHAN (CN) 1996-05-01 CN disclosed