SCHEMBL19337334

SCHEMBL19337334

C=C(C)OC(=O)CC(=O)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.42
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
ALDH1A1 P00352 7/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP2D6 P10635 1/20 0.38
SOAT1 P35610 1/20 0.37
THRB P10828 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
TRPA1 O75762 1/20 0.34
FAAH O00519 2/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL11718323 0.82 GAA (0.65) GLO1MGAMGAASIMGAM2
SCHEMBL7633120 0.79 ALDH1A1 (0.47) GLO1MGAMGAASIMGAM2
SCHEMBL1680531 0.79 GAA (0.67) GLO1MGAMGAASIMGAM2
SCHEMBL28290300 0.77 MGAM (0.50) GLO1MGAMGAASIMGAM2
SCHEMBL5691153 0.77 GAA (0.64) GLO1MGAMGAASIMGAM2
SCHEMBL29403798 0.77 GAA (0.64) GLO1MGAMGAASIMGAM2
SCHEMBL28290424 0.77 MGAM (0.50) GLO1MGAMGAASIMGAM2
SCHEMBL9177680 0.77 GAA (0.64) GLO1MGAMGAASIMGAM2
SCHEMBL626011 0.77 GAA (0.64) GLO1MGAMGAASIMGAM2
Ethyl Acetate SCHEMBL28822002 0.77 ALDH1A1 (0.54) GLO1MGAMGAASIMGAM2

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-3010901-B1 HETEROARYL SUBSTITUTED PYRAZOLES Bayer Pharma AG (DE) 2017-09-13 EP disclosed