SCHEMBL30725555

SCHEMBL30725555

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
ESR1 P03372 4/20 0.42
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
AKR1C4 P17516 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
S1PR1 P21453 1/20 0.40
SLC29A1 Q99808 1/20 0.39
CNR2 P34972 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DRD3 P35462 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38

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
SCHEMBL22390148 1.00 LMNA (0.42) LMNAESR1ALDH1A1NPC1MAPT
SCHEMBL22390151 1.00 LMNA (0.42) LMNAESR1ALDH1A1NPC1MAPT
SCHEMBL30725556 1.00 LMNA (0.42) LMNAESR1ALDH1A1NPC1MAPT
SCHEMBL22390134 0.96 MEN1 (0.42) LMNAESR1ALDH1A1S1PR1SLC29A1
SCHEMBL30725560 0.96 MEN1 (0.42) LMNAESR1ALDH1A1S1PR1SLC29A1
SCHEMBL22402325 0.90 ESR1 (0.44) LMNAESR1ALDH1A1NPC1MAPT
SCHEMBL22402312 0.90 ESR1 (0.44) LMNAESR1ALDH1A1NPC1MAPT
SCHEMBL22402306 0.85 ESR1 (0.41) LMNAESR1ALDH1A1S1PR1SLC29A1
SCHEMBL22390142 0.82 NAAA (0.44) LMNAALDH1A1MAPTS1PR1DRD3
SCHEMBL22390149 0.82 NAAA (0.44) LMNAALDH1A1MAPTS1PR1DRD3

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