SCHEMBL6129339

SCHEMBL6129339

CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(=O)[C@H](C)N)[C@H]1OC(=O)[C@H](C)N

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LGALS8 O00214 8/20 0.52
LGALS3 P17931 6/20 0.42
LGALS4 P56470 4/20 0.42
MAPK1 P28482 1/20 0.39
LGALS9 O00182 1/20 0.38
LGALS1 P09382 1/20 0.38
LGALS7; LGALS7B P47929 1/20 0.38
FGF1 P05230 1/20 0.37
ALDH1A1 P00352 1/20 0.37
THRB P10828 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL18864321 0.86 LGALS8 (0.47) LGALS8LGALS3LGALS4LGALS9LGALS1
SCHEMBL10972064 0.81 LGALS3 (0.46) LGALS8LGALS3LGALS4
SCHEMBL17283396 0.81 LGALS8 (0.58) LGALS8LGALS3LGALS4LGALS9LGALS1
SCHEMBL2337047 0.80 L3MBTL1 (0.44) LGALS8ALDH1A1THRB
SCHEMBL27865347 0.80 L3MBTL1 (0.44) LGALS8ALDH1A1THRB
SCHEMBL701054 0.79 LGALS8 (0.56) LGALS8LGALS3LGALS4LGALS9LGALS1
SCHEMBL10825279 0.79 CYP2D6 (0.43) THRBCA1CA2CA9
SCHEMBL1674815 0.79 LGALS8 (0.56) LGALS8LGALS3LGALS4LGALS9LGALS1
SCHEMBL16327733 0.76 LGALS8 (0.60) LGALS8LGALS3LGALS4LGALS9LGALS1
SCHEMBL10781125 0.75 LGALS8 (0.57) LGALS8LGALS3FGF1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944639-A4 SYNTHETIC GLYCOAMINES, METHODS FOR THEIR USE THAT AFFECT CELL GLINSKII GUENNADI V (US) 2005-09-28 EP disclosed
WO-1999053930-A1 SYNTHETIC GLYCOAMINES AND METHODS FOR THEIR USE, ALONE OR IN COMBINATION WITH OTHER THERAPIES, THAT AFFECT CELL ADHESION, INHIBIT CANCER CELL GROWTH AND METASTASIS, AND INDUCE APOPTOSIS GLINSKII GUENNADI V (US) 1999-10-28 WO disclosed
EP-0944639-A1 SYNTHETIC GLYCOAMINES, METHODS FOR THEIR USE THAT AFFECT CELL Glinskii, Guennadi, V. (US) 1999-09-29 EP disclosed
WO-1998023625-A9 SYNTHETIC GLYCOAMINES, METHODS FOR THEIR USE THAT AFFECT CELL 1998-09-17 WO disclosed
WO-1998023625-A1 SYNTHETIC GLYCOAMINES, METHODS FOR THEIR USE THAT AFFECT CELL GLINSKII GUENNADI V (US) 1998-06-04 WO disclosed