SCHEMBL3391435

SCHEMBL3391435

CC(=O)OCCCCC(C)COC=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 4/20 0.41
PTPN1 P18031 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.34
USP2 O75604 2/20 0.34
CYP3A4 P08684 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
PGR P06401 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
HTR1A P08908 1/20 0.32
CHRNB2 P17787 1/20 0.32
TBXA2R P21731 1/20 0.32

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
SCHEMBL3389432 0.95 ALOX15 (0.44) ALOX15ALDH1A1PTPN1SMN1; SMN2USP2
SCHEMBL3388437 0.88 ALOX15 (0.54) ALOX15ALDH1A1PTPN1SMN1; SMN2USP2
SCHEMBL3391433 0.87 ALOX15 (0.39) ALOX15ALDH1A1PTPN1SMN1; SMN2USP2
SCHEMBL17466185 0.82 ALDH1A1 (0.47) ALOX15ALDH1A1PTPN1SMN1; SMN2USP2
SCHEMBL3389403 0.81 ALOX15 (0.51) ALOX15ALDH1A1PTPN1SMN1; SMN2LMNA
SCHEMBL3389429 0.81 ALOX15 (0.40) ALOX15ALDH1A1PTPN1SMN1; SMN2USP2
SCHEMBL15149621 0.80 ALDH1A1 (0.52) ALOX15ALDH1A1PTPN1SMN1; SMN2USP2
SCHEMBL20630298 0.78 ALDH1A1 (0.50) ALOX15ALDH1A1PTPN1SMN1; SMN2USP2
SCHEMBL2160886 0.78 TDP1 (0.38) ALOX15ALDH1A1PTPN1SMN1; SMN2USP2
SCHEMBL3389402 0.78 ALOX15 (0.56) ALOX15ALDH1A1PTPN1SMN1; SMN2LMNA

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