SCHEMBL14725009

SCHEMBL14725009

CC(=O)OC[C@H]1O[C@@H](n2c(=S)sc3c(=O)[nH]c(N)nc32)C(OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.66
TLR7 Q9NYK1 15/20 0.48
LMNA P02545 2/20 0.48
THRB P10828 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HIF1A Q16665 1/20 0.48
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL338450 1.00 ALDH1A1 (0.66) ALDH1A1TLR7LMNATHRBSMN1; SMN2
SCHEMBL339186 1.00 ALDH1A1 (0.66) ALDH1A1TLR7LMNATHRBSMN1; SMN2
SCHEMBL1313958 0.92 ALDH1A1 (0.60) ALDH1A1TLR7LMNATHRBSMN1; SMN2
SCHEMBL6976869 0.92 ALDH1A1 (0.69) ALDH1A1TLR7LMNATHRBSMN1; SMN2
SCHEMBL510895 0.92 ALDH1A1 (0.69) ALDH1A1TLR7LMNATHRBSMN1; SMN2
SCHEMBL12593016 0.92 ALDH1A1 (0.69) ALDH1A1TLR7LMNATHRBSMN1; SMN2
SCHEMBL6976500 0.87 ALDH1A1 (0.64) ALDH1A1TLR7LMNATHRBSMN1; SMN2
SCHEMBL12593023 0.86 ALDH1A1 (0.62) ALDH1A1TLR7LMNATHRBSMN1; SMN2
SCHEMBL510407 0.86 ALDH1A1 (0.62) ALDH1A1TLR7LMNATHRBSMN1; SMN2
SCHEMBL6973892 0.85 TLR7 (0.50) ALDH1A1TLR7

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
EP-2561872-A1 3, 5-disubstituted and 3,5,7-trisubstituted-3H-oxazolo [4,5-d]pyrimidin-2-one compounds and prodrugs thereof Anadys Pharmaceuticals, Inc. (US) 2013-02-27 EP disclosed