SCHEMBL3389402

SCHEMBL3389402

CC(=O)OCCC(C)CCCOC=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.56
PTPN1 P18031 1/20 0.42
ALDH1A1 P00352 3/20 0.38
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
PGR P06401 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
HTR1A P08908 1/20 0.33
CHRNB2 P17787 1/20 0.33
TBXA2R P21731 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRNA10 Q9GZZ6 1/20 0.33
CHRNA9 Q9UGM1 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL3389403 0.93 ALOX15 (0.51) ALOX15PTPN1ALDH1A1CHRM5CHRM1
SCHEMBL4950090 0.91 ALOX15 (0.61) ALOX15PTPN1ALDH1A1CHRM5CHRM1
SCHEMBL3389429 0.86 ALOX15 (0.40) ALOX15PTPN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL3389432 0.83 ALOX15 (0.44) ALOX15PTPN1ALDH1A1CHRM5CHRM1
SCHEMBL3388437 0.82 ALOX15 (0.54) ALOX15PTPN1ALDH1A1CHRM5CHRM1
SCHEMBL3391433 0.81 ALOX15 (0.39) ALOX15PTPN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL7552905 0.81 ALOX15 (0.70) ALOX15PTPN1ALDH1A1CHRM5CHRM1
SCHEMBL2161923 0.79 ALDH1A1 (0.54) ALOX15ALDH1A1CHRM5CHRM1CHRM3
SCHEMBL2160738 0.79 ALDH1A1 (0.54) ALOX15ALDH1A1CHRM5CHRM1CHRM3
SCHEMBL3388433 0.79 ALOX15 (0.46) ALOX15PTPN1ALDH1A1CHRM5CHRM1

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