SCHEMBL13871304

SCHEMBL13871304

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
LMNA P02545 1/20 0.50
HSD17B10 Q99714 1/20 0.50
GLO1 Q04760 1/20 0.48
EGLN1 Q9GZT9 1/20 0.45
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP2D6 P10635 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 3/20 0.42
ALOX15 P16050 1/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
SOAT1 P35610 1/20 0.42
TSHR P16473 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
HCAR2 Q8TDS4 1/20 0.39

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
SCHEMBL14194445 0.90 GLO1 (0.50) ALDH1A1LMNAHSD17B10GLO1EGLN1
SCHEMBL3672314 0.83 ALDH1A1 (0.56) ALDH1A1LMNAHSD17B10GLO1EGLN1
SCHEMBL14194448 0.83 GLO1 (0.39) ALDH1A1LMNAHSD17B10GLO1EGLN1
SCHEMBL226561 0.81 ALDH1A1 (0.52) ALDH1A1LMNAHSD17B10GLO1EGLN1
SCHEMBL4661645 0.81 ALDH1A1 (0.52) ALDH1A1LMNAHSD17B10GLO1EGLN1
SCHEMBL17827812 0.81 GLO1 (0.56) ALDH1A1LMNAHSD17B10GLO1EGLN1
SCHEMBL14194457 0.81 GLO1 (0.38) ALDH1A1LMNAHSD17B10GLO1EGLN1
SCHEMBL14194366 0.81 GLO1 (0.38) ALDH1A1LMNAHSD17B10GLO1EGLN1
SCHEMBL4305928 0.80
Acetic Acid SCHEMBL9456387 0.80 ALDH1A1 (0.58) ALDH1A1LMNAHSD17B10GLO1EGLN1

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
US-7514454-B2 Piperidin-2,6-dione pamoate salts and their use for the treatment of stress-related affective disorders PRESTWICK PHARMACEUTICALS, INC. (US) 2009-04-07 US disclosed