SCHEMBL16201842

SCHEMBL16201842

CC(=O)OCCCCOC(=O)CCCCC(=O)OCCCCOC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
DGKA P23743 1/20 0.56
CHRM5 P08912 2/20 0.48
CHRM1 P11229 2/20 0.48
CHRM3 P20309 2/20 0.48
PGR P06401 1/20 0.48
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
HTR1A P08908 1/20 0.48
CHRNB2 P17787 1/20 0.48
TBXA2R P21731 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA7 P36544 1/20 0.48
CHRNA4 P43681 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CHRNA10 Q9GZZ6 1/20 0.48
CHRNA9 Q9UGM1 1/20 0.48
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47

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
SCHEMBL17833479 0.93 DGKA (0.64) ALDH1A1DGKACHRM5CHRM1CHRM3
SCHEMBL12917472 0.92 DGKA (0.53) ALDH1A1DGKACHRM5CHRM1CHRM3
SCHEMBL13551136 0.91 ALDH1A1 (0.56) ALDH1A1DGKACHRM5CHRM1CHRM3
SCHEMBL3502294 0.90 DGKA (0.74) ALDH1A1DGKAPRSS1PRSS2PRSS3
SCHEMBL13572526 0.90 DGKA (0.57) ALDH1A1DGKAPRSS1PRSS2PRSS3
SCHEMBL4334518 0.90 DGKA (0.74) ALDH1A1DGKAPRSS1PRSS2PRSS3
SCHEMBL18675745 0.90 DGKA (0.74) ALDH1A1DGKAPRSS1PRSS2PRSS3
SCHEMBL26238726 0.90 DGKA (0.74) ALDH1A1DGKAPRSS1PRSS2PRSS3
SCHEMBL589349 0.90 DGKA (0.62) ALDH1A1DGKAPRSS1PRSS2PRSS3
SCHEMBL13347191 0.90 DGKA (0.74) ALDH1A1DGKAPRSS1PRSS2PRSS3

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-20140322554-A1 OPTICAL FILM, POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2014-10-30 US disclosed