SCHEMBL29259191

SCHEMBL29259191

CCC1(CC)N(CC(=O)O)CCCN(CC(=O)O)CCN(CC(=O)O)CCCN(CC(=O)O)C1(CC)CC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.39
SIGMAR1 Q99720 3/20 0.36
S1PR1 P21453 1/20 0.35
SLC6A9 P48067 1/20 0.33
GAA P10253 1/20 0.32
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HTT P42858 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CHRM1 P11229 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30

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
SCHEMBL31252455 0.91 HSD17B10 (0.42) HSD17B10S1PR1SLC6A9ITGB3ITGA2B
SCHEMBL3504659 0.79 HSD17B10 (0.56) HSD17B10SIGMAR1S1PR1SLC6A9GAA
SCHEMBL21454626 0.79 HSD17B10 (0.56) HSD17B10SIGMAR1S1PR1SLC6A9GAA
SCHEMBL1065178 0.79 HSD17B10 (0.56) HSD17B10SIGMAR1S1PR1SLC6A9GAA
SCHEMBL893723 0.79 HSD17B10 (0.56) HSD17B10SIGMAR1S1PR1SLC6A9GAA
SCHEMBL454245 0.79 HSD17B10 (0.56) HSD17B10SIGMAR1S1PR1SLC6A9GAA
SCHEMBL17512849 0.79 HSD17B10 (0.56) HSD17B10SIGMAR1S1PR1SLC6A9GAA
SCHEMBL336249 0.79 HSD17B10 (0.56) HSD17B10SIGMAR1S1PR1SLC6A9GAA
SCHEMBL321552 0.79 HSD17B10 (0.56) HSD17B10SIGMAR1S1PR1SLC6A9GAA
SCHEMBL16645317 0.77 HSD17B10 (0.47) HSD17B10SIGMAR1S1PR1ALDH1A1SMN1; SMN2

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
CN-116759632-A Crown ether lithium salt compound and perovskite lithium battery thereof 美能能源技术(苏州)有限公司 2023-09-15 CN disclosed