SCHEMBL12812863

SCHEMBL12812863

O=C(N[C@@H]1[C@@H](OCc2ccccc2)O[C@H](CF)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ CPB1 P15086 2/20 0.39
▸ SSTR1 P30872 1/20 0.39
▸ SSTR2 P30874 1/20 0.39
▸ SSTR4 P31391 1/20 0.39
▸ SSTR3 P32745 1/20 0.39
▸ SSTR5 P35346 1/20 0.39
▸ NAAA Q02083 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ LGALS8 O00214 1/20 0.39
▸ NT5E P21589 1/20 0.38

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
SCHEMBL12812861 1.00 ALDH1A1 (0.42) ALDH1A1GAAL3MBTL1POLBTSHR
SCHEMBL15754059 0.90 TACR2 (0.47) ALDH1A1GAAL3MBTL1POLBTSHR
SCHEMBL12812851 0.90 TACR2 (0.47) ALDH1A1GAAL3MBTL1POLBTSHR
SCHEMBL12812854 0.88 NT5E (0.51) POLBNT5E
SCHEMBL10524869 0.83 LGALS8 (0.54) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL12812846 0.83 POLB (0.41) ALDH1A1GAAPOLBSSTR1SSTR2
SCHEMBL12812848 0.83 POLB (0.41) ALDH1A1GAAPOLBSSTR1SSTR2
SCHEMBL10526777 0.80 POLB (0.52) POLBSSTR1SSTR2SSTR4SSTR3
SCHEMBL7768969 0.78 LGALS8 (0.51) GAAPOLBLGALS8
SCHEMBL16153929 0.78 SLC6A2 (0.52) GAAPOLBLGALS8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2703495-B1 METHOD FOR DETECTING CANCER CELL USING FLUORESCENTLY LABELED L-GLUCOSE DERIVATIVE, AND CANCER CELL-IMAGING AGENT COMPRISING FLUORESCENTLY LABELED L-GLUCOSE DERIVATIVE UNIV HIROSAKI (JP) 2018-05-09 — — EP disclosed
US-20140154717-A1 METHOD FOR DETECTING CANCER CELL USING FLUORESCENTLY LABELED L-GLUCOSE DERIVATIVE, AND CANCER CELL-IMAGING AGENT COMPRISING FLUORESCENTLY LABELED L-GLUCOSE DERIVATIVE HIROSAKI UNIVERSITY (JP) 2014-06-05 — — US disclosed
WO-2012133688-A1 METHOD FOR DETECTING CANCER CELL USING FLUORESCENTLY LABELED L-GLUCOSE DERIVATIVE, AND CANCER CELL-IMAGING AGENT COMPRISING FLUORESCENTLY LABELED L-GLUCOSE DERIVATIVE 国立大学法人弘前大学 (JP) 2012-10-04 — — WO disclosed
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