SCHEMBL10697367

SCHEMBL10697367

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

nearest known ligand 0.43

Predicted protein targets (top 20)

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 8/20 0.40
TRPA1 O75762 1/20 0.40
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 3/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
CHRM1 P11229 1/20 0.37
ADORA1 P30542 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
SOAT1 P35610 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL4025531 0.84 MGAM (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL8911100 0.83 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7736216 0.82 MGAM (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1268514 0.80 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28340643 0.80 MGAM (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL27306435 0.79 LMNA (0.40) ALDH1A1HSD17B10LMNAALOX15TSHR
SCHEMBL12956154 0.79 ALDH1A1 (0.40) ALDH1A1HSD17B10LMNATDP1
SCHEMBL25249275 0.78 MGAM (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6466859 0.78 ALDH1A1 (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1268677 0.78 MGAM (0.41) 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-0264714-A2 Selective resin synthesis Ashland Oil, Inc. (US) 1988-04-27 EP disclosed