SCHEMBL3628059

SCHEMBL3628059

CC(=O)CCC1COC(=O)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.42
CYP1A2 P05177 1/20 0.39
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
HTT P42858 1/20 0.36
MTNR1A P48039 2/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PTPN1 P18031 1/20 0.33
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 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
SCHEMBL3626372 0.84 CYP1A2 (0.57) CHRM5CYP1A2NPC1RAB9APTPN1
SCHEMBL21388503 0.83 HTT (0.39) CHRM5CYP1A2CHRM2CHRM4CHRM1
SCHEMBL3286863 0.83 CHRM5 (0.38) CHRM5CYP1A2CHRM2CHRM4CHRM1
SCHEMBL3627426 0.82 PTPN1 (0.34) CHRM5CYP1A2PTPN1ALDH1A1
SCHEMBL10685150 0.81 CHRM5 (0.37) CHRM5CYP1A2CHRM2CHRM4CHRM1
SCHEMBL10687694 0.81 CHRM5 (0.37) CHRM5CYP1A2CHRM2CHRM4CHRM1
SCHEMBL3629032 0.81 CHRM5 (0.44) CHRM5CYP1A2CHRM2CHRM4CHRM1
SCHEMBL16080268 0.81 TSHR (0.39) CHRM5CYP1A2CHRM2CHRM4CHRM1
SCHEMBL3283402 0.80 CYP1A2 (0.38) CHRM5CYP1A2CHRM2CHRM4CHRM1
SCHEMBL7625502 0.79 CHRM5 (0.38) CHRM5CYP1A2CHRM2CHRM4CHRM1

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