SCHEMBL21391538

SCHEMBL21391538

C#CCCC(=O)C[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 3/20 0.46
LGALS8 O00214 2/20 0.46
LGALS4 P56470 2/20 0.46
IGF2R P11717 2/20 0.44
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
AMY1A P0DUB6 1/20 0.41
TYR P14679 6/20 0.39
AMY2A P04746 1/20 0.38
LGALS9 O00182 1/20 0.38
LGALS1 P09382 1/20 0.38
LGALS7; LGALS7B P47929 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 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
SCHEMBL21391536 1.00 LGALS3 (0.46) LGALS3LGALS8LGALS4IGF2RKDM4E
SCHEMBL22906132 0.88 LGALS3 (0.46) LGALS3LGALS8LGALS4IGF2RKDM4E
SCHEMBL21391503 0.88 AMY1A (0.35) LGALS3LGALS8LGALS4IGF2RKDM4E
SCHEMBL20161431 0.81 IGF2R (0.55) LGALS3LGALS8LGALS4IGF2RMEN1
SCHEMBL10301424 0.80 LGALS8 (0.53) LGALS3LGALS8LGALS4IGF2RKDM4E
SCHEMBL12198736 0.80 LGALS8 (0.53) LGALS3LGALS8LGALS4IGF2RKDM4E
SCHEMBL12756242 0.79 LGALS8 (0.64) LGALS3LGALS8LGALS4IGF2RMEN1
SCHEMBL17468102 0.79 LGALS8 (0.64) LGALS3LGALS8LGALS4IGF2RMEN1
SCHEMBL13515800 0.79 LGALS8 (0.64) LGALS3LGALS8LGALS4IGF2RMEN1
SCHEMBL23219580 0.78 LGALS3 (0.59) LGALS3LGALS8LGALS4IGF2RMEN1

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