SCHEMBL3629032

SCHEMBL3629032

CC(=O)CC1COC(=O)C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.44
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
HTT P42858 1/20 0.38
CYP1A2 P05177 1/20 0.37
NAAA Q02083 1/20 0.32
MT-CO2 P00403 1/20 0.32
ALOX5 P09917 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
PTPN1 P18031 1/20 0.30

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
SCHEMBL3628981 0.82 CYP1A2 (0.51) CHRM5HTTCYP1A2MT-CO2ALOX5
SCHEMBL5859228 0.82 ITGB3 (0.41) CHRM5CHRM2CHRM4CHRM1CHRM3
SCHEMBL3628059 0.81 CHRM5 (0.42) CHRM5CHRM2CHRM4CHRM1CHRM3
SCHEMBL3623089 0.81 CYP2D6 (0.34) CHRM5LMNA
SCHEMBL31290206 0.79 BRD4 (0.50) CHRM5CHRM2CHRM4CHRM1CHRM3
SCHEMBL17447514 0.79 NAAA (0.31) NAAAMT-CO2ALOX5
SCHEMBL30972332 0.77 MIF (0.38) CHRM5CHRM2CHRM4CHRM1CHRM3
SCHEMBL12159707 0.76
SCHEMBL14562801 0.76
SCHEMBL963415 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7695863-B2 rechargeable batteries having excellent battery cycle properties, electrical capacity and storage characteristic during charging, comprising electrodes and a nonaqueous electrolytic solution containing a dicarbonyl compound as an additive UBE INDUSTRIES, LTD. (JP) 2010-04-13 US disclosed
US-20080102377-A1 rechargeable batteries having excellent battery cycle properties, electrical capacity and storage characteristic during charging, comprising electrodes and a nonaqueous electrolytic solution containing a dicarbonyl compound as an additive UBE INDUSTRIES, LTD (JP) 2008-05-01 US disclosed