SCHEMBL21391532

SCHEMBL21391532

C#CCCC(=O)C[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO)CC(O)(CO)C2O)C(O)C1O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.32
SI P14410 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
AKR1B1 P15121 1/20 0.32
HSP90AA1 P07900 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
SCHEMBL21391538 0.78 LGALS3 (0.46) MEN1KMT2A
SCHEMBL21391536 0.78 LGALS3 (0.46) MEN1KMT2A
SCHEMBL21391503 0.78 AMY1A (0.35) MEN1KMT2A
SCHEMBL22906132 0.68 LGALS3 (0.46) MEN1KMT2A
SCHEMBL22906105 0.64
SCHEMBL26938903 0.62 AMY1A (0.46) MGAMSIMEN1KMT2AAKR1B1
SCHEMBL10301424 0.61 LGALS8 (0.53)
SCHEMBL12198736 0.61 LGALS8 (0.53)
SCHEMBL21391500 0.60 LGALS8 (0.49) MEN1KMT2A
SCHEMBL21391502 0.60 LGALS8 (0.49) MEN1KMT2A

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
WO-2019182087-A1 OLIGOSACCHARIDE C-GLYCOSIDE DERIVATIVES OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2019-09-26 WO disclosed