SCHEMBL3388433

SCHEMBL3388433

CC(=O)OCC(C)CCOC=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.46
TDP1 Q9NUW8 1/20 0.35
PTPN1 P18031 1/20 0.34
ALDH1A1 P00352 5/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
USP2 O75604 3/20 0.33
CYP3A4 P08684 3/20 0.33
MAPT P10636 3/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32
CHRM5 P08912 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
PGR P06401 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
HTR1A P08908 1/20 0.31
CHRNB2 P17787 1/20 0.31
TBXA2R P21731 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
SCHEMBL3389429 0.89 ALOX15 (0.40) ALOX15TDP1PTPN1ALDH1A1SMN1; SMN2
SCHEMBL3391433 0.88 ALOX15 (0.39) ALOX15TDP1PTPN1ALDH1A1SMN1; SMN2
SCHEMBL4950090 0.87 ALOX15 (0.61) ALOX15PTPN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL3388437 0.85 ALOX15 (0.54) ALOX15TDP1PTPN1ALDH1A1SMN1; SMN2
SCHEMBL2160886 0.82 TDP1 (0.38) ALOX15TDP1PTPN1ALDH1A1SMN1; SMN2
SCHEMBL3389403 0.82 ALOX15 (0.51) ALOX15PTPN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL11619041 0.82 ALOX15 (0.58) ALOX15TDP1PTPN1ALDH1A1SMN1; SMN2
SCHEMBL21908559 0.80
SCHEMBL22689608 0.80 TDP1 (0.45) ALOX15TDP1PTPN1ALDH1A1SMN1; SMN2
SCHEMBL3389432 0.79 ALOX15 (0.44) ALOX15TDP1PTPN1ALDH1A1SMN1; SMN2

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
EP-1729365-B1 NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING THE SAME UBE INDUSTRIES (JP) 2010-12-22 EP disclosed
US-20080241704-A1 Nonaqueous Electrolyte Solution and Lithium Secondary Battery Using Same UBE INDUSTRIES, LTD (JP) 2008-10-02 US disclosed
EP-1729365-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME Ube Industries, Ltd. (JP) 2006-12-06 EP disclosed