SCHEMBL18652575

SCHEMBL18652575

CC(=O)OCC[C@H](COC(C)=O)OC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
ALOX15 P16050 1/20 0.42
PRKCA P17252 3/20 0.40
ALDH1A1 P00352 3/20 0.40
AR P10275 1/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PGR P06401 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
HTR1A P08908 1/20 0.39
CHRNB2 P17787 1/20 0.39
TBXA2R P21731 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39

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
SCHEMBL19257812 0.89 TDP1 (0.52) TDP1PRKCAALDH1A1ARCHRM1
SCHEMBL16684801 0.88 ALDH1A1 (0.47) TDP1ALOX15PRKCAALDH1A1AR
SCHEMBL13825187 0.87 ALOX15 (0.44) TDP1ALOX15PRKCAALDH1A1CHRM5
SCHEMBL21268589 0.86 TDP1 (0.43) TDP1PRKCAALDH1A1ARTSHR
Triacetin SCHEMBL821340 0.84 TDP1 (0.56) TDP1PRKCAALDH1A1ARTSHR
Triacetin SCHEMBL3870 0.84 TDP1 (0.56) TDP1PRKCAALDH1A1ARTSHR
SCHEMBL8362220 0.83 PRKCA (0.47) TDP1PRKCAALDH1A1ARTSHR
SCHEMBL7758842 0.83 PRKCA (0.47) TDP1PRKCAALDH1A1ARTSHR
SCHEMBL11913587 0.83 ALDH1A1 (0.45) TDP1ALOX15PRKCAALDH1A1CHRM5
SCHEMBL7757645 0.83 PRKCA (0.44) TDP1ALOX15PRKCAALDH1A1CHRM5

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
WO-2017046535-A1 MULTI-FUNCTIONALIZED POLYSACCHARIDE COMPOUNDS AND USE THEREOF FOR TARGETING THE CATION-INDEPENDENT MANNOSE 6-PHOSPHATE RECEPTOR NANOMEDSYN (FR) 2017-03-23 WO disclosed