SCHEMBL8369358

SCHEMBL8369358

O=C(O[C@@]1(C(=O)c2ccccc2)[C@H](O)[C@@H](CO)O[C@H](O)[C@@H]1O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LGALS9 O00182 3/20 0.43
LGALS1 P09382 3/20 0.43
LGALS3 P17931 3/20 0.43
LGALS7; LGALS7B P47929 3/20 0.43
HK1 P19367 2/20 0.38
HK2 P52789 2/20 0.38
MAOB P27338 1/20 0.38
RNASE1 P07998 1/20 0.35
ALDH1A1 P00352 2/20 0.34
F2 P00734 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
LGALS8 O00214 1/20 0.33

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
SCHEMBL8329637 0.89 LGALS9 (0.44) LGALS9LGALS1LGALS3LGALS7; LGALS7BHK1
SCHEMBL28448346 0.76 HK1 (0.41) LGALS9LGALS1LGALS3LGALS7; LGALS7BHK1
SCHEMBL28448343 0.76 HK1 (0.41) LGALS9LGALS1LGALS3LGALS7; LGALS7BHK1
SCHEMBL10392788 0.75 LMNA (0.44) ALDH1A1F2LMNAPOLBTDP1
SCHEMBL8369357 0.74 LGALS3 (0.47) LGALS9LGALS1LGALS3LGALS7; LGALS7BHK1
SCHEMBL2506762 0.73 LGALS3 (0.44) LGALS9LGALS1LGALS3LGALS7; LGALS7BLGALS8
SCHEMBL715284 0.71 LGALS3 (0.61) LGALS9LGALS1LGALS3LGALS7; LGALS7BHK1
SCHEMBL715283 0.71 LGALS3 (0.61) LGALS9LGALS1LGALS3LGALS7; LGALS7BHK1
SCHEMBL7744292 0.71 LGALS3 (0.61) LGALS9LGALS1LGALS3LGALS7; LGALS7BHK1
SCHEMBL28268402 0.70 LGALS9 (0.45) LGALS9LGALS1LGALS3LGALS7; LGALS7BHK1

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-1999061583-A2 CARBOHYDRATE-BASED SCAFFOLD COMPOUNDS, COMBINATORIAL LIBRARIES AND METHODS FOR THEIR CONSTRUCTION INCARA PHARMACEUTICALS CORP. (US) 1999-12-02 WO disclosed