SCHEMBL12812854

SCHEMBL12812854

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.51
▸ PTPN1 P18031 11/20 0.48
▸ CDC25B P30305 8/20 0.48
▸ PTPN2 P17706 6/20 0.48
▸ PTPN11 Q06124 5/20 0.48
▸ PTPN6 P29350 4/20 0.48
▸ TACR2 P21452 2/20 0.48
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ MDM2 Q00987 1/20 0.44
▸ POLB P06746 1/20 0.44

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
SCHEMBL15513814 0.90 NT5E (0.53) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL15754059 0.89 TACR2 (0.47) PTPN1CDC25BTACR2POLB
SCHEMBL12812851 0.89 TACR2 (0.47) PTPN1CDC25BTACR2POLB
SCHEMBL15514084 0.88 TP53 (0.55) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL12812863 0.88 ALDH1A1 (0.42) NT5EPOLB
SCHEMBL5840927 0.88 TP53 (0.55) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL5840884 0.88 TP53 (0.55) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL12812861 0.88 ALDH1A1 (0.42) NT5EPOLB
SCHEMBL16967451 0.88 TP53 (0.55) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL15514995 0.87 PTPN1 (0.55) NT5EPTPN1CDC25BPTPN2PTPN11

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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