SCHEMBL4950090

SCHEMBL4950090

CC(=O)OCCC(C)CCOC=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.61
PTPN1 P18031 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CHRNB2 P17787 4/20 0.36
CHRNA4 P43681 4/20 0.36
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
PGR P06401 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
HTR1A P08908 1/20 0.36
TBXA2R P21731 1/20 0.36
CHRNA7 P36544 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRNA10 Q9GZZ6 1/20 0.36
CHRNA9 Q9UGM1 1/20 0.36
TSHR P16473 1/20 0.36

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 0.91 ALOX15 (0.51) ALOX15PTPN1ALDH1A1CHRNB2CHRNA4
SCHEMBL3389402 0.91 ALOX15 (0.56) ALOX15PTPN1ALDH1A1CHRNB2CHRNA4
SCHEMBL3388437 0.87 ALOX15 (0.54) ALOX15PTPN1ALDH1A1CHRNB2CHRNA4
SCHEMBL3388433 0.87 ALOX15 (0.46) ALOX15PTPN1ALDH1A1CHRNB2CHRNA4
SCHEMBL7552905 0.85 ALOX15 (0.70) ALOX15PTPN1ALDH1A1CHRNB2CHRNA4
Citronellyl Acetate SCHEMBL3666360 0.84 ALOX15 (0.73) ALOX15PTPN1ALDH1A1TSHR
SCHEMBL21518273 0.83 ALOX15 (0.36) ALOX15
SCHEMBL25557425 0.81 ALOX15 (0.71) ALOX15PTPN1ALDH1A1CHRNB2CHRNA4
SCHEMBL8007782 0.81 ALOX15 (0.71) ALOX15PTPN1ALDH1A1CHRNB2CHRNA4
SCHEMBL15746555 0.81 ALOX15 (0.40) ALOX15PTPN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080241704-A1 Nonaqueous Electrolyte Solution and Lithium Secondary Battery Using Same UBE INDUSTRIES, LTD (JP) 2008-10-02 US disclosed