SCHEMBL18736732

SCHEMBL18736732

CC(=O)OCOC(=O)CC(=O)OCOC(=O)CC=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.39
GAA P10253 2/20 0.39
SI P14410 2/20 0.39
MGAM2 Q2M2H8 2/20 0.39
ALDH1A1 P00352 4/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 2/20 0.34
THRB P10828 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PGR P06401 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
HTR1A P08908 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRM3 P20309 1/20 0.30
TBXA2R P21731 1/20 0.30

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
SCHEMBL4482989 0.84 GAA (0.52) MGAMGAASIMGAM2ALDH1A1
SCHEMBL18736731 0.84 GAA (0.52) MGAMGAASIMGAM2ALDH1A1
SCHEMBL5443235 0.82
SCHEMBL18736544 0.81 TSHR (0.32) MGAMGAASIMGAM2CHRM2
SCHEMBL19007795 0.76 GAA (0.71) MGAMGAASIMGAM2ALDH1A1
SCHEMBL13141524 0.75 GAA (0.55) MGAMGAASIMGAM2ALDH1A1
SCHEMBL322669 0.74
SCHEMBL4482991 0.73 ALDH1A1 (0.42) MGAMGAASIMGAM2ALDH1A1
SCHEMBL16932930 0.73 TDP1 (0.45) MGAMGAASIMGAM2ALDH1A1
SCHEMBL13147899 0.72 ALDH1A1 (0.38) MGAMGAASIMGAM2ALDH1A1

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