SCHEMBL783655

SCHEMBL783655

CCCOC(OCCC)OC(=O)CCC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
LMNA P02545 4/20 0.41
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
FFAR3 O14843 3/20 0.33
HDAC3 O15379 3/20 0.33
HDAC1 Q13547 3/20 0.33
HDAC2 Q92769 3/20 0.33
HDAC8 Q9BY41 3/20 0.33
DGKA P23743 1/20 0.33
PRKCA P17252 1/20 0.33
PRKCE Q02156 1/20 0.33
PRKCQ Q04759 1/20 0.33
PRKCD Q05655 1/20 0.33
TSHR P16473 1/20 0.32
CYP1A2 P05177 1/20 0.31

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
SCHEMBL783601 0.84 ALDH1A1 (0.48) ALDH1A1LMNAMAPTMAPK1CES2
SCHEMBL783931 0.84 NAAA (0.39) ALDH1A1LMNAMAPTMAPK1DGKA
SCHEMBL11211980 0.84 LMNA (0.43) ALDH1A1LMNAMAPTMAPK1DGKA
SCHEMBL28444447 0.81 ALDH1A1 (0.55) ALDH1A1LMNAMAPTMAPK1CES2
SCHEMBL14015829 0.81 ALDH1A1 (0.44) ALDH1A1LMNAMAPTMAPK1CES2
SCHEMBL9067826 0.81 LMNA (0.47) ALDH1A1LMNAMAPTMAPK1DGKA
SCHEMBL28770404 0.79 ALDH1A1 (0.43) ALDH1A1LMNAMAPTMAPK1CES2
SCHEMBL6438668 0.78 MGAM (0.41)
SCHEMBL27710493 0.78 ALDH1A1 (0.41) ALDH1A1LMNAMAPTMAPK1CES2
SCHEMBL784490 0.77 ALDH1A1 (0.50) ALDH1A1LMNAMAPTMAPK1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102412416-A Nonaqueous electrolyte and nonaqueous electrolyte battery SONY CORP 2012-04-11 CN disclosed
US-20120070730-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS ELECTROLYTE BATTERY SONY CORPORATION (JP) 2012-03-22 US disclosed