SCHEMBL2939615

SCHEMBL2939615

CCOC(=O)C#CC#CC(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
ALDH1A1 P00352 7/20 0.40
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX15 P16050 1/20 0.37
SOAT1 P35610 1/20 0.37
TRPA1 O75762 1/20 0.34
TSHR P16473 1/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 2/20 0.33
EGLN1 Q9GZT9 1/20 0.32
GLA P06280 1/20 0.32
MAPT P10636 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
PKM P14618 1/20 0.31
CYP2D6 P10635 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
SCHEMBL2945943 0.91 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2948744 0.91 ALDH1A1 (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2945262 0.83 ACHE (0.35) ALDH1A1LMNAHSD17B10TSHRKDM4E
SCHEMBL2939248 0.83 ALDH1A1 (0.39) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2941830 0.80 ALDH1A1 (0.42) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL18446 0.80 ALDH1A1 (0.53) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2945903 0.79 ALDH1A1 (0.47) ALDH1A1TSHRHCAR2
SCHEMBL2941644 0.77
SCHEMBL16885808 0.75 HTT (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7736670 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727677-B2 Nonaqueous electrolyte solution and lithium secondary battery using same UBE INDUSTRIES, LTD. (JP) 2010-06-01 US disclosed
EP-1758198-B1 NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME UBE INDUSTRIES (JP) 2009-07-08 EP disclosed
US-20080038644-A1 Nonaques Electrolyte Solution And Lithium Secondary Battery Using Same UBE INDUSTRIES, LTD. (JP) 2008-02-14 US disclosed
EP-1758198-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME Ube Industries, Ltd. (JP) 2007-02-28 EP disclosed