SCHEMBL3258907

SCHEMBL3258907

CCC1=C(C(=O)OC)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
ACHE P22303 3/20 0.38
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
SLC6A3 Q01959 6/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL13469340 0.87 SLC6A3 (0.45) SMN1; SMN2ACHESLC6A3SLC6A2SLC6A4
SCHEMBL13469218 0.87 SLC6A3 (0.45) SMN1; SMN2ACHESLC6A3SLC6A2SLC6A4
SCHEMBL6902990 0.84 KDM4E (0.32) KDM4EMAPT
SCHEMBL8966027 0.80 KDM4E (0.52) SMN1; SMN2GAAALDH1A1KDM4EMAPT
SCHEMBL5607056 0.80 NPSR1 (0.46) SMN1; SMN2ACHESLC6A3NPSR1SLC6A2
SCHEMBL11755378 0.80 NPSR1 (0.46) SMN1; SMN2ACHESLC6A3NPSR1SLC6A2
SCHEMBL11755388 0.80 NPSR1 (0.46) SMN1; SMN2ACHESLC6A3NPSR1SLC6A2
SCHEMBL105194 0.76
Maleic Acid SCHEMBL1071775 0.74 HCAR2 (0.38) ALDH1A1
SCHEMBL2490865 0.71

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-20100098355-A1 BAG HAVING A CLOSURE ASSEMBLY COATING EXCELLENCE INTERNATIONAL LLC 2010-04-22 US disclosed