SCHEMBL30725568

SCHEMBL30725568

CC(C)OC(=O)c1cc[n+]([O-])c(CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 1/20 0.39
SLC6A9 P48067 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
TSHR P16473 1/20 0.36
CYP2D6 P10635 1/20 0.36
ULK1 O75385 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL22390144 1.00 JMJD6 (0.39) JMJD6SLC6A9SMN1; SMN2POLBALDH1A1
SCHEMBL22402357 0.88 CA12 (0.37) JMJD6SLC6A9SMN1; SMN2POLBALDH1A1
SCHEMBL21043971 0.83 SLC6A9 (0.41) SLC6A9SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL30218416 0.83 SLC6A9 (0.41) SLC6A9SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL22390134 0.82 MEN1 (0.42) SMN1; SMN2ALDH1A1MEN1KMT2ATSHR
SCHEMBL30725560 0.82 MEN1 (0.42) SMN1; SMN2ALDH1A1MEN1KMT2ATSHR
SCHEMBL22390117 0.81 JMJD6 (0.43) JMJD6SMN1; SMN2POLBALDH1A1MEN1
SCHEMBL30725512 0.81 JMJD6 (0.43) JMJD6SMN1; SMN2POLBALDH1A1MEN1
SCHEMBL22390148 0.80 LMNA (0.42) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL22390151 0.80 LMNA (0.42) ALDH1A1MEN1KMT2AMAPTRAB9A

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
CN-111511728-B Compound for separating rare earth elements and s, p, d metals, separation method and use thereof 有机生物化学公司 2023-12-08 CN claimed
CN-111511728-B Compound for separating rare earth elements and s, p, d metals, separation method and use thereof 有机生物化学公司 2023-12-08 CN disclosed