SCHEMBL5664697

SCHEMBL5664697

CC(=O)OCO.CC(=O)OCO.CC(=O)OCO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.56
HSD17B10 Q99714 2/20 0.56
LMNA P02545 1/20 0.56
CHRM5 P08912 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
TSHR P16473 2/20 0.43
PGR P06401 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
HTR1A P08908 1/20 0.43
CHRNB2 P17787 1/20 0.43
TBXA2R P21731 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRNA10 Q9GZZ6 1/20 0.43
CHRNA9 Q9UGM1 1/20 0.43

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
SCHEMBL65248 1.00
SCHEMBL27914012 0.97
SCHEMBL28289411 0.97
Methylamine SCHEMBL7760765 0.94
Ethylene Glycol SCHEMBL20913728 0.94 ALDH1A1 (0.50) ALDH1A1HSD17B10LMNACHRM5CHRM1
Ethyl Acetate SCHEMBL11722608 0.88 ALDH1A1 (0.78) ALDH1A1HSD17B10LMNACHRM5CHRM1
SCHEMBL29101479 0.84 ALDH1A1 (0.42) ALDH1A1HSD17B10LMNACHRM5CHRM1
SCHEMBL20913716 0.82 MEN1 (0.52) ALDH1A1HSD17B10LMNACHRM5CHRM1
Tromethamine SCHEMBL4431533 0.80 LMNA (0.46) ALDH1A1HSD17B10LMNACHRM5CHRM1
SCHEMBL181021 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060197255-A1 Dope estimation method and solution casting method FUJI PHOTO FILM CO., LTD. 2006-09-07 US disclosed