SCHEMBL21391541

SCHEMBL21391541

O=C(CCC(=O)OCc1ccccc1)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 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGALS8 O00214 1/20 0.49
HRAS P01112 1/20 0.49
SLC6A2 P23975 2/20 0.46
FGF1 P05230 1/20 0.44
FGF2 P09038 1/20 0.44
VEGFA P15692 1/20 0.44
HPSE Q9Y251 1/20 0.44
LGALS9 O00182 1/20 0.43
LGALS1 P09382 1/20 0.43
LGALS3 P17931 1/20 0.43
LGALS7; LGALS7B P47929 1/20 0.43
SYNJ2 O15056 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ABL1 P00519 1/20 0.42
ALPL P05186 1/20 0.42
POLB P06746 1/20 0.42
ALPI P09923 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
ALPG P10696 1/20 0.42

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
SCHEMBL22906135 0.94 LGALS8 (0.48) LGALS8HRASSLC6A2FGF1FGF2
SCHEMBL21391509 0.94 LGALS8 (0.48) LGALS8HRASSLC6A2FGF1FGF2
SCHEMBL21391539 0.94 LGALS8 (0.48) LGALS8HRASSLC6A2FGF1FGF2
SCHEMBL22906103 0.85 LGALS8 (0.44) LGALS8HRASSLC6A2FGF1FGF2
SCHEMBL10136110 0.82 LGALS8 (0.51) LGALS8HRASSLC6A2FGF1FGF2
SCHEMBL24478899 0.81 HRAS (0.55) LGALS8HRASSLC6A2FGF1FGF2
SCHEMBL5497489 0.79 SLC6A2 (0.58) LGALS8HRASSLC6A2LGALS9LGALS1
SCHEMBL5497498 0.79 SLC6A2 (0.58) LGALS8HRASSLC6A2LGALS9LGALS1
SCHEMBL21391436 0.78 FGF1 (0.51) LGALS8HRASFGF1FGF2VEGFA
SCHEMBL21391537 0.78 FGF1 (0.51) LGALS8HRASFGF1FGF2VEGFA

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