SCHEMBL12812836

SCHEMBL12812836

O=C(N[C@H]1[C@@H](O)[C@H](O)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@@H]1O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HK1 P19367 2/20 0.43
▸ HK2 P52789 2/20 0.43
▸ TYMP P19971 7/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ TSHR P16473 1/20 0.38
▸ CPB1 P15086 1/20 0.38
▸ CTSL P07711 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ NAAA Q02083 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
SCHEMBL12812835 1.00 HK1 (0.43) HK1HK2TYMPALDH1A1GAA
SCHEMBL17435236 0.83 HK1 (0.47) HK1HK2TYMP
SCHEMBL20608732 0.83 HK1 (0.47) HK1HK2TYMP
SCHEMBL10521162 0.83 HK1 (0.58) HK1HK2ALDH1A1GAATSHR
SCHEMBL18803484 0.83 HK1 (0.58) HK1HK2ALDH1A1GAATSHR
SCHEMBL7147563 0.83 HK1 (0.58) HK1HK2ALDH1A1GAATSHR
SCHEMBL12812847 0.83 HK1 (0.58) HK1HK2ALDH1A1GAATSHR
SCHEMBL14780667 0.83 HK1 (0.58) HK1HK2ALDH1A1GAATSHR
SCHEMBL374488 0.83 HK1 (0.58) HK1HK2ALDH1A1GAATSHR
SCHEMBL15763312 0.83 HK1 (0.58) HK1HK2ALDH1A1GAATSHR

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 4 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
EP-2703495-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) 2014-03-05 — — EP 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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