SCHEMBL2668995

SCHEMBL2668995

CC/N=C(/CC(=O)C(C)(C)C)C(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
ALDH1A1 P00352 5/20 0.33
CYP2D6 P10635 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
GLO1 Q04760 1/20 0.32
KYAT1 Q16773 4/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALOX15 P16050 1/20 0.30
SOAT1 P35610 1/20 0.30
MMP8 P22894 1/20 0.30

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
SCHEMBL26973207 0.83 MAPT (0.44) MAPTMGAMGAASIMGAM2
SCHEMBL1107510 0.81 MAPT (0.36) MAPTMGAMGAASIMGAM2
SCHEMBL11771817 0.79 GAA (0.54) MAPTMGAMGAASIMGAM2
SCHEMBL141672 0.75 GAA (0.41) MAPTMGAMGAASIMGAM2
SCHEMBL12681589 0.73 ALDH1A1 (0.46) MAPTMGAMGAASIMGAM2
SCHEMBL66328 0.70 GAA (0.64) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1141161 0.69 HTT (0.39)
SCHEMBL27825811 0.69 GAA (0.61) MGAMGAASIMGAM2ALDH1A1
SCHEMBL13296908 0.67 GAA (0.41) MAPTMGAMGAASIMGAM2
SCHEMBL1980217 0.67 EGLN1 (0.63) MAPTMGAMGAASIMGAM2

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
WO-2008005964-A2 PHOSPHONATE AND PHOSPHINATE COMPOUNDS AS GLUCOKINASE ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-10 WO disclosed