SCHEMBL13759591

SCHEMBL13759591

C=CC(=O)OCCOC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.47
ALDH1A1 P00352 4/20 0.47
TP53 P04637 3/20 0.47
HIF1A Q16665 3/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP3A4 P08684 2/20 0.43
THRB P10828 2/20 0.41
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL12684836 0.90 TSHR (0.38) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL3726186 0.83 TSHR (0.50) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL12111744 0.83 TSHR (0.42) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL12111747 0.82 TSHR (0.50) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL14027608 0.81 ALDH1A1 (0.33) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL29842557 0.81 ALDH1A1 (0.32) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL11989407 0.81 ALDH1A1 (0.32) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL2602737 0.81 TSHR (0.53) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL14156232 0.80 TSHR (0.47) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL31247953 0.80 TSHR (0.51) TSHRALDH1A1TP53HIF1AHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560284-B2 Fine particles containing rare earth element and fluorescent probe using the same DAI NIPPON PRINTING CO., LTD. (JP) 2009-07-14 US disclosed
US-20080292520-A1 FINE PARTICLES CONTAINING RARE EARTH ELEMENT AND FLUORESCENT PROBE USING THE SAME MATSUURA DAISUKE 2008-11-27 US disclosed