SCHEMBL2939247

SCHEMBL2939247

CCCOC(=O)CC#CCC(=O)OCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.41
DGKA P23743 1/20 0.41
ALDH1A1 P00352 7/20 0.40
HCAR2 Q8TDS4 1/20 0.40
LMNA P02545 1/20 0.38
ESR1 P03372 1/20 0.36
CHRM1 P11229 1/20 0.36
TSHR P16473 1/20 0.36
SLC6A2 P23975 1/20 0.36
KDR P35968 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GLA P06280 1/20 0.36
RAD52 P43351 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PPM1B O75688 1/20 0.35
PTPN1 P18031 1/20 0.35
PPP1CC P36873 1/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35

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
SCHEMBL2946414 0.93 MGAM (0.46) NAAADGKAALDH1A1HCAR2LMNA
SCHEMBL2947731 0.91 TSHR (0.37) NAAADGKAALDH1A1HCAR2LMNA
SCHEMBL9746747 0.89 NAAA (0.38) NAAADGKAALDH1A1HCAR2LMNA
SCHEMBL9746566 0.88 NAAA (0.34) NAAADGKAALDH1A1HCAR2LMNA
SCHEMBL2944649 0.86 ALDH1A1 (0.54) NAAADGKAALDH1A1HCAR2TSHR
SCHEMBL2944650 0.84 NAAA (0.63) NAAADGKAALDH1A1HCAR2TSHR
SCHEMBL2375796 0.83
SCHEMBL9025731 0.83
SCHEMBL2947703 0.82 NAAA (0.67) NAAADGKAALDH1A1HCAR2LMNA
SCHEMBL2945049 0.82 NAAA (0.67) NAAADGKAALDH1A1HCAR2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727677-B2 Nonaqueous electrolyte solution and lithium secondary battery using same UBE INDUSTRIES, LTD. (JP) 2010-06-01 US disclosed
EP-1758198-B1 NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME UBE INDUSTRIES (JP) 2009-07-08 EP disclosed
US-20080038644-A1 Nonaques Electrolyte Solution And Lithium Secondary Battery Using Same UBE INDUSTRIES, LTD. (JP) 2008-02-14 US disclosed
EP-1758198-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME Ube Industries, Ltd. (JP) 2007-02-28 EP disclosed