SCHEMBL7144641

SCHEMBL7144641

CC(=O)OCCOC(C)=O.CC(=O)ON.CC(=O)ON.[Na].[Na]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
CHRM5 P08912 4/20 0.54
CHRM1 P11229 4/20 0.54
CHRM3 P20309 4/20 0.54
CHRM2 P08172 3/20 0.54
CHRM4 P08173 3/20 0.54
TSHR P16473 3/20 0.54
HTR1A P08908 2/20 0.54
CHRNB2 P17787 2/20 0.54
CHRNA7 P36544 2/20 0.54
CHRNA4 P43681 2/20 0.54
PGR P06401 1/20 0.54
TBXA2R P21731 1/20 0.54
CHRNB4 P30926 1/20 0.54
CHRNA3 P32297 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CHRNA10 Q9GZZ6 1/20 0.54
CHRNA9 Q9UGM1 1/20 0.54
GALR3 O60755 2/20 0.52
GAA P10253 1/20 0.52

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
SCHEMBL6701878 1.00 ALDH1A1 (0.54) ALDH1A1CHRM5CHRM1CHRM3CHRM2
SCHEMBL10530192 1.00 ALDH1A1 (0.54) ALDH1A1CHRM5CHRM1CHRM3CHRM2
SCHEMBL29427832 0.97 ALDH1A1 (0.56) ALDH1A1CHRM5CHRM1CHRM3CHRM2
SCHEMBL5865827 0.97 ALDH1A1 (0.56) ALDH1A1CHRM5CHRM1CHRM3CHRM2
SCHEMBL6697248 0.97 ALDH1A1 (0.56) ALDH1A1CHRM5CHRM1CHRM3CHRM2
SCHEMBL28309544 0.97 ALDH1A1 (0.56) ALDH1A1CHRM5CHRM1CHRM3CHRM2
SCHEMBL29446779 0.88 ALDH1A1 (0.65) ALDH1A1CHRM5CHRM1CHRM3CHRM2
SCHEMBL64593 0.85 ALDH1A1 (0.68) ALDH1A1CHRM5CHRM1CHRM3CHRM2
SCHEMBL2480199 0.83
SCHEMBL8912739 0.83 ALDH1A1 (0.46) ALDH1A1CHRM5CHRM1CHRM3CHRM2

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-6524816-B1 Xylanase promoter to direct expression of a heterologous nucleotide sequence in an organism, such as a filamentous fungus (e.g. Aspergillus niger), or yeast DANISCO A/S (DK) 2003-02-25 US disclosed