SCHEMBL1020469

SCHEMBL1020469

CC(=O)OCC(OC(C)=O)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
TSHR P16473 3/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
HSD17B10 Q99714 1/20 0.37
CHRM1 P11229 3/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
TBXA2R P21731 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
MAPT P10636 2/20 0.32
GALR3 O60755 2/20 0.32
BLM P54132 1/20 0.32
CHRM5 P08912 2/20 0.31
CHRM3 P20309 2/20 0.31
PGR P06401 1/20 0.31
HTR1A P08908 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31

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
Hydrochloric Acid SCHEMBL4305676 0.98 TDP1 (0.47) TDP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL29104740 0.82 TDP1 (0.52) TDP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL440977 0.80 TDP1 (0.50) TDP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL31469524 0.80 TDP1 (0.50) TDP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL13967844 0.78 TDP1 (0.48) TDP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL712304 0.78 TDP1 (0.48) TDP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL6225790 0.78 TDP1 (0.48) TDP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL425735 0.78 TDP1 (0.48) TDP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL7276080 0.78 TDP1 (0.48) TDP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL6760890 0.77 TSHR (0.40) TDP1TSHRALDH1A1LMNAHSD17B10

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
EP-2271615-A1 NOVEL PROCESS FOR PREPARATION OF IOPROMIDE LG Life Sciences Ltd (KR) 2011-01-12 EP disclosed
WO-2009134030-A1 NOVEL PROCESS FOR PREPARATION OF IOPROMIDE LG LIFE SCIENCES LTD. (KR) 2009-11-05 WO disclosed