SCHEMBL16254841

SCHEMBL16254841

CCOC(=O)CC(C)C(C)(C)CC

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
ALDH1A1 P00352 7/20 0.40
TRPA1 O75762 1/20 0.40
ALOX15 P16050 3/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 2/20 0.37
CHRM1 P11229 1/20 0.37
ADORA1 P30542 1/20 0.37
MMP8 P22894 1/20 0.36
CYP1A2 P05177 1/20 0.35
LMNA P02545 1/20 0.34
CYP2D6 P10635 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL21052497 0.86 GAA (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL13602465 0.83 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL17266817 0.80 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28248202 0.78 ALDH1A1 (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL14677611 0.78 GAA (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL22606013 0.78 GAA (0.38) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1904864 0.78 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL197988 0.78 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1237869 0.78 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11247658 0.77 GAA (0.40) GAAMGAMSIMGAM2ALDH1A1

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-1731571-B1 SOLUBILIZER AND COMPOSITION CONTAINING SAME KUREHA CORP (JP) 2014-11-19 EP disclosed