SCHEMBL18736735

SCHEMBL18736735

COC(=O)CC(=O)OCOC(=O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
MGAM O43451 2/20 0.41
SI P14410 2/20 0.41
MGAM2 Q2M2H8 2/20 0.41
TSHR P16473 4/20 0.39
PRKCA P17252 1/20 0.37
HSD17B10 Q99714 1/20 0.36
BTN3A1 O00481 5/20 0.35
TET2 Q6N021 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RECQL P46063 1/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ENO1 P06733 1/20 0.31
DGAT1 O75907 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL4482845 0.93 GAA (0.46) GAAMGAMSIMGAM2TSHR
SCHEMBL15635179 0.85 TSHR (0.54) GAAMGAMSIMGAM2TSHR
SCHEMBL681950 0.83 PRKCA (0.46) GAAPRKCABTN3A1ALDH1A1POLB
SCHEMBL129134 0.83 MGAM (0.55) GAAMGAMSIMGAM2TSHR
SCHEMBL4482847 0.83 PRKCA (0.37) GAAMGAMSIMGAM2TSHR
SCHEMBL3836339 0.82 TSHR (0.52) TSHRPRKCAALDH1A1RECQL
SCHEMBL23306659 0.81 MGAM (0.33) GAAMGAMSIMGAM2TSHR
SCHEMBL3835787 0.80 TSHR (0.50) GAATSHRPRKCAALDH1A1RECQL
SCHEMBL3829281 0.80 TSHR (0.50) GAATSHRPRKCAALDH1A1RECQL
SCHEMBL3838294 0.80 TSHR (0.50) GAATSHRPRKCAALDH1A1RECQL

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-2017060418-A1 PROTECTED CARBOXYLIC ACID-BASED METABOLITES FOR THE TREATMENT OF MITOCHONDRIA-RELATED DISEASES NEUROVIVE PHARMACEUTICAL AB (SE) 2017-04-13 WO disclosed