SCHEMBL10704820

SCHEMBL10704820

CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GJB2 P29033 3/20 0.51
▸ SLC6A2 P23975 2/20 0.51
▸ MAG P20916 1/20 0.51
▸ LGALS3 P17931 4/20 0.48
▸ LGALS8 O00214 1/20 0.48
▸ LGALS4 P56470 1/20 0.48
▸ TP53 P04637 2/20 0.47
▸ MDM2 Q00987 2/20 0.47
▸ GJA1 P17302 2/20 0.46
▸ POLB P06746 1/20 0.45
▸ LGALS7; LGALS7B P47929 2/20 0.45
▸ LGALS1 P09382 1/20 0.45
▸ MDM4 O15151 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.45
▸ HSP90AB1 P08238 1/20 0.45
▸ LGALS9 O00182 1/20 0.45

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
SCHEMBL11170193 0.95 MAG (0.49) MAGLGALS3TP53MDM2POLB
SCHEMBL11170198 0.95 MAG (0.49) MAGLGALS3TP53MDM2POLB
SCHEMBL11494535 0.95 MAG (0.49) MAGLGALS3TP53MDM2POLB
SCHEMBL18241603 0.91 TP53 (0.53) GJB2MAGTP53MDM2POLB
SCHEMBL7717946 0.91 MAG (0.58) SLC6A2MAGLGALS3LGALS8LGALS4
SCHEMBL542353 0.91 MAG (0.58) SLC6A2MAGLGALS3LGALS8LGALS4
SCHEMBL16153923 0.91 MAG (0.58) SLC6A2MAGLGALS3LGALS8LGALS4
SCHEMBL542355 0.91 MAG (0.58) SLC6A2MAGLGALS3LGALS8LGALS4
SCHEMBL7717956 0.91 MAG (0.58) SLC6A2MAGLGALS3LGALS8LGALS4
SCHEMBL11173059 0.89 TP53 (0.52) GJB2TP53MDM2POLBMDM4

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
EP-0084999-B1 PROCESS FOR THE PREPARATION OF ORGANIC OLIGOSACCHARIDES, CORRESPONDING TO FRAGMENTS OF NATURAL MUCO-POLYSACCHARIDES, OLIGOSACCHARIDES OBTAINED AND THEIR BIOLOGICAL APPLICATIONS D.R.O.P.I.C. (Société Civile) (FR) 1988-04-13 — — EP disclosed
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