SCHEMBL16656262

SCHEMBL16656262

NCN1CCN(CC(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.52
SLC6A9 P48067 2/20 0.41
KDM4E B2RXH2 2/20 0.37
GLRA1 P23415 1/20 0.36
OR51E2 Q9H255 1/20 0.36
S1PR1 P21453 1/20 0.36
EGLN1 Q9GZT9 1/20 0.34
ALDH1A1 P00352 3/20 0.33
GAA P10253 1/20 0.33
STAT6 P42226 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL11208756 1.00 HSD17B10 (0.52) HSD17B10SLC6A9KDM4EGLRA1OR51E2
Tetraxetan SCHEMBL3364489 0.87 HSD17B10 (0.54) HSD17B10SLC6A9KDM4EGLRA1OR51E2
Glycine SCHEMBL308073 0.87 HSD17B10 (0.54) HSD17B10SLC6A9KDM4EGLRA1OR51E2
Tetraxetan SCHEMBL2635294 0.87 HSD17B10 (0.64) HSD17B10SLC6A9KDM4ES1PR1ALDH1A1
SCHEMBL321989 0.87 HSD17B10 (0.64) HSD17B10SLC6A9KDM4ES1PR1ALDH1A1
Tetraxetan SCHEMBL2017956 0.87 HSD17B10 (0.64) HSD17B10SLC6A9KDM4ES1PR1ALDH1A1
SCHEMBL6848102 0.87 HSD17B10 (0.64) HSD17B10SLC6A9KDM4ES1PR1ALDH1A1
SCHEMBL173508 0.87 HSD17B10 (0.64) HSD17B10SLC6A9KDM4ES1PR1ALDH1A1
Tetraxetan SCHEMBL18018 0.87 HSD17B10 (0.64) HSD17B10SLC6A9KDM4ES1PR1ALDH1A1
SCHEMBL3503521 0.87 HSD17B10 (0.64) HSD17B10SLC6A9KDM4ES1PR1ALDH1A1

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-9012604-B2 Triazanonane derivatives or pharmaceutically acceptable salt thereof for enhanced fluorine-18 labeling Snur & DB Foundation (KR) 2015-04-21 US disclosed