SCHEMBL8317281

SCHEMBL8317281

CO[C@H]1[C@@H](OCc2ccccc2)[C@@H](CO)O[C@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.54
BCHE P06276 1/20 0.40
SSTR1 P30872 1/20 0.40
SSTR2 P30874 1/20 0.40
SSTR4 P31391 1/20 0.40
SSTR3 P32745 1/20 0.40
SSTR5 P35346 1/20 0.40
LGALS8 O00214 1/20 0.39
TACR2 P21452 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 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
SCHEMBL7948095 1.00 NT5E (0.54) NT5EBCHESSTR1SSTR2SSTR4
SCHEMBL7955939 0.90 NT5E (0.56) NT5EBCHESSTR1SSTR2SSTR4
SCHEMBL7955938 0.90 NT5E (0.56) NT5EBCHESSTR1SSTR2SSTR4
SCHEMBL7948100 0.89 NT5E (0.55) NT5EBCHESSTR1SSTR2SSTR4
SCHEMBL7955504 0.89 NT5E (0.55) NT5EBCHESSTR1SSTR2SSTR4
SCHEMBL7955508 0.89 NT5E (0.55) NT5EBCHESSTR1SSTR2SSTR4
SCHEMBL7948307 0.88 NT5E (0.64) NT5EBCHESSTR1SSTR2SSTR4
SCHEMBL7948306 0.88 NT5E (0.64) NT5EBCHESSTR1SSTR2SSTR4
SCHEMBL7948148 0.88 NT5E (0.53) NT5ELGALS8SLC6A2
SCHEMBL7948144 0.88 NT5E (0.53) NT5ELGALS8SLC6A2

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-0819135-B1 SUGAR-MODIFIED CYTOSTATICS BAYER AG (DE) 1999-11-17 EP disclosed