SCHEMBL9128591

SCHEMBL9128591

O=C([O-])C(C(=O)[O-])N1CCOCCOCCN(C(C(=O)[O-])C(=O)[O-])CCOCCOCC1.[Fe+2].[Fe+2]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
HSD17B10 Q99714 2/20 0.38
PKM P14618 1/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 2/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MMP1 P03956 1/20 0.33
MMP3 P08254 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
Zinc Ion SCHEMBL9132958 0.96 SMN1; SMN2 (0.40) SMN1; SMN2HSD17B10PKMKMT2AALDH1A1
SCHEMBL9128580 0.96 SMN1; SMN2 (0.40) SMN1; SMN2HSD17B10PKMKMT2AALDH1A1
SCHEMBL9133356 0.96 SMN1; SMN2 (0.40) SMN1; SMN2HSD17B10PKMKMT2AALDH1A1
Lithium Ion SCHEMBL9128143 0.96 SMN1; SMN2 (0.40) SMN1; SMN2HSD17B10PKMKMT2AALDH1A1
Potassium Ion SCHEMBL9130747 0.96 SMN1; SMN2 (0.40) SMN1; SMN2HSD17B10PKMKMT2AALDH1A1
SCHEMBL9130204 0.96 SMN1; SMN2 (0.40) SMN1; SMN2HSD17B10PKMKMT2AALDH1A1
SCHEMBL9128193 0.88 HSD17B10 (0.37) SMN1; SMN2HSD17B10PKMKMT2AALDH1A1
Potassium Ion SCHEMBL9128549 0.85 KMT2A (0.41) SMN1; SMN2HSD17B10PKMKMT2AALDH1A1
SCHEMBL9130141 0.85 KMT2A (0.41) SMN1; SMN2HSD17B10PKMKMT2AALDH1A1
SCHEMBL9620663 0.77 HSD17B10 (0.45) SMN1; SMN2HSD17B10PKMKMT2AALDH1A1

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-5440031-A Form stable complexes with radioactive metal ions which can be eliminated from organism Orszagos "Frederic Joliot-Curie" Sugar-biologiai es Sugaregeszsegugyi Kutato Intezet (HU) 1995-08-08 US disclosed