SCHEMBL3388437

SCHEMBL3388437

CC(=O)OCCC(C)COC=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.54
▸ ALDH1A1 P00352 4/20 0.36
▸ CHRNB2 P17787 3/20 0.35
▸ CHRNA4 P43681 3/20 0.35
▸ CHRM5 P08912 2/20 0.35
▸ CHRM1 P11229 2/20 0.35
▸ CHRM3 P20309 2/20 0.35
▸ CHRNB4 P30926 2/20 0.35
▸ CHRNA3 P32297 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ PGR P06401 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ TBXA2R P21731 1/20 0.35
▸ CHRNA7 P36544 1/20 0.35
▸ CHRNA10 Q9GZZ6 1/20 0.35
▸ CHRNA9 Q9UGM1 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ GALR3 O60755 2/20 0.34

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 0.89 ALOX15 (0.44) ALOX15ALDH1A1CHRNB2CHRNA4CHRM5
SCHEMBL3391435 0.88 ALOX15 (0.42) ALOX15ALDH1A1CHRNB2CHRNA4CHRM5
SCHEMBL4950090 0.87 ALOX15 (0.61) ALOX15ALDH1A1CHRNB2CHRNA4CHRM5
SCHEMBL3388433 0.85 ALOX15 (0.46) ALOX15ALDH1A1CHRNB2CHRNA4CHRM5
SCHEMBL2160886 0.82 TDP1 (0.38) ALOX15ALDH1A1CHRNB2CHRNA4CHRM5
SCHEMBL3389402 0.82 ALOX15 (0.56) ALOX15ALDH1A1CHRNB2CHRNA4CHRM5
SCHEMBL11619041 0.82 ALOX15 (0.58) ALOX15ALDH1A1CHRNB2CHRNA4CHRM5
SCHEMBL3784335 0.80 ALOX15 (0.56) ALOX15ALDH1A1CHRNB2CHRNA4CHRM5
SCHEMBL21908559 0.80 — —
SCHEMBL7552905 0.80 ALOX15 (0.70) ALOX15ALDH1A1CHRNB2CHRNA4CHRM5

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
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