SCHEMBL4725937

SCHEMBL4725937

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
ALDH1A1 P00352 5/20 0.43
TRPA1 O75762 1/20 0.43
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 2/20 0.39
CYP1A2 P05177 1/20 0.38
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
LMNA P02545 2/20 0.37
HSD17B10 Q99714 1/20 0.37
HDAC4 P56524 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL2741021 0.83 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL29233778 0.80 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11861490 0.79 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL4007750 0.79 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL974467 0.79 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL10451800 0.79 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL23779364 0.77 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL14307627 0.77 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL14556960 0.76 ALDH1A1 (0.40) ALDH1A1NPSR1MEN1HTTKMT2A
SCHEMBL21272700 0.76 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008009674-A1 PROCESS FOR THE SYNTHESIS OF OLEFINICALLY UNSATURATED CARBOXYLIC ACID ESTERS Solvay (Société Anonyme) (BE) 2008-01-24 WO disclosed
WO-2008009674-A1 PROCESS FOR THE SYNTHESIS OF OLEFINICALLY UNSATURATED CARBOXYLIC ACID ESTERS Solvay (Société Anonyme) (BE) 2008-01-24 WO disclosed