SCHEMBL783576

SCHEMBL783576

CCCOC(OCCC)(OCCC)OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
GAA P10253 1/20 0.38
LMNA P02545 2/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 1/20 0.33
CES2 O00748 2/20 0.31
HCAR2 Q8TDS4 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
SCHEMBL783715 0.80 ALDH1A1 (0.43) ALDH1A1GAALMNAHSD17B10TSHR
SCHEMBL783759 0.79 NAAA (0.39) ALDH1A1LMNA
SCHEMBL27815533 0.79 GAA (0.41) ALDH1A1GAALMNAHSD17B10TSHR
SCHEMBL784176 0.77 ALDH1A1 (0.46) ALDH1A1LMNATSHRCES2
SCHEMBL784817 0.76 CES2 (0.36) ALDH1A1HSD17B10CES2
SCHEMBL783983 0.76 ALDH1A1 (0.31) ALDH1A1
SCHEMBL784046 0.74 ALDH1A1 (0.33) ALDH1A1LMNACES2HCAR2
SCHEMBL7896884 0.73 GAA (0.46) ALDH1A1GAALMNAHSD17B10TSHR
SCHEMBL4188617 0.73 CA1 (0.30)
SCHEMBL784641 0.70 LMNA (0.62) ALDH1A1LMNAHSD17B10TSHRCES2

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
US-20120070730-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS ELECTROLYTE BATTERY SONY CORPORATION (JP) 2012-03-22 US disclosed