SCHEMBL21474557

SCHEMBL21474557

CCCOC(=O)C(C)CC(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
ALDH1A1 P00352 6/20 0.40
ALOX15 P16050 3/20 0.40
CYP3A4 P08684 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CHRM1 P11229 1/20 0.40
ADORA1 P30542 1/20 0.40
TRPA1 O75762 1/20 0.40
LMNA P02545 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 2/20 0.38
CYP1A2 P05177 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL5728295 0.92 MAPT (0.38) ALDH1A1CHRM1LMNATDP1MAPT
SCHEMBL13643227 0.87 GAA (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1245716 0.87 GAA (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL17792657 0.87 GAA (0.50) MGAMGAASIMGAM2ALDH1A1
Ethane SCHEMBL2862194 0.85 GAA (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL19105326 0.82 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3392959 0.81 MGAM (0.40) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3395509 0.81 MGAM (0.40) MGAMGAASIMGAM2ALDH1A1
SCHEMBL10012796 0.80 MEN1 (0.41) MGAMGAASIMGAM2ALDH1A1
SCHEMBL12526876 0.80 CA1 (0.37) 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
EP-2683351-B1 USE OF A 2-METHYLSUCCINIC ACID DIESTER DERIVATIVE AS SOLVENT IN COSMETIC COMPOSITIONS; COSMETIC COMPOSITIONS CONTAINING THE SAME OREAL (FR) 2019-10-16 EP disclosed