SCHEMBL12812846

SCHEMBL12812846

O=C(N[C@@H]1C(OCc2ccccc2)O[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.41
▸ NT5E P21589 1/20 0.41
▸ LMNA P02545 2/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ MDM4 O15151 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ HSP90AB1 P08238 1/20 0.38
▸ MDM2 Q00987 1/20 0.38
▸ PTPN1 P18031 4/20 0.38
▸ CDC25B P30305 4/20 0.38
▸ PTPN2 P17706 2/20 0.38
▸ PTPN6 P29350 2/20 0.38
▸ PTPN11 Q06124 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ SSTR1 P30872 1/20 0.38
▸ SSTR2 P30874 1/20 0.38
▸ SSTR4 P31391 1/20 0.38
▸ SSTR3 P32745 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
SCHEMBL12812848 1.00 POLB (0.41) POLBNT5ELMNAKMT2AMDM4
SCHEMBL12812854 0.86 NT5E (0.51) POLBNT5ETP53MDM2PTPN1
SCHEMBL12812851 0.84 TACR2 (0.47) POLBPTPN1CDC25BALDH1A1GAA
SCHEMBL15754059 0.84 TACR2 (0.47) POLBPTPN1CDC25BALDH1A1GAA
SCHEMBL12812863 0.83 ALDH1A1 (0.42) POLBNT5ELMNAALDH1A1GAA
SCHEMBL12812861 0.83 ALDH1A1 (0.42) POLBNT5ELMNAALDH1A1GAA
SCHEMBL8712020 0.82 LMNA (0.53) POLBLMNAKMT2AALDH1A1
SCHEMBL7227900 0.81 POLB (0.43) POLBNT5ELMNAKMT2AMDM4
SCHEMBL8538284 0.81 LMNA (0.43) POLBNT5ELMNAKMT2APTPN1
SCHEMBL8538288 0.81 LMNA (0.43) POLBNT5ELMNAKMT2APTPN1

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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