SCHEMBL12459690

SCHEMBL12459690

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
ALDH1A1 P00352 6/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
TSHR P16473 2/20 0.34
PGR P06401 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
HTR1A P08908 1/20 0.34
CHRNB2 P17787 1/20 0.34
TBXA2R P21731 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CHRNA10 Q9GZZ6 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
SCHEMBL13548866 0.82 GAA (0.46) GAAALDH1A1LMNAHSD17B10CHRM5
SCHEMBL1948636 0.77 ALDH1A1 (0.43) GAAALDH1A1LMNAHSD17B10CHRM5
SCHEMBL3199088 0.76 ALDH1A1 (0.48) GAAALDH1A1LMNAHSD17B10CHRM5
SCHEMBL697625 0.76
SCHEMBL14627793 0.76 ALDH1A1 (0.48) GAAALDH1A1LMNAHSD17B10CHRM5
SCHEMBL9465473 0.75 GAA (0.44) GAAALDH1A1LMNAHSD17B10TSHR
SCHEMBL1742403 0.75 GAA (0.40) GAAALDH1A1LMNAHSD17B10CHRM5
SCHEMBL20828198 0.75 GAA (0.40) GAAALDH1A1LMNAHSD17B10CHRM5
SCHEMBL1584536 0.74 GAA (0.48) GAAALDH1A1LMNAHSD17B10CHRM1
SCHEMBL6095317 0.74

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9458380-B2 5H-furan-2-one derivatives for stabilization of organic material BASF SE (DE) 2016-10-04 US disclosed
US-20140058021-A1 5H-Furan-2-one Derivatives for Stabilization of Organic Material BASF SE (DE) 2014-02-27 US disclosed
EP-2351564-A1 Methods of treating an inflammatory-related disease Natrogen Therapeutics, Inc. (US) 2011-08-03 EP disclosed