SCHEMBL2836353

SCHEMBL2836353

BrCc1cc([C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)c2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.41
SSTR1 P30872 3/20 0.39
SSTR2 P30874 3/20 0.39
SSTR4 P31391 3/20 0.39
SSTR3 P32745 3/20 0.39
SSTR5 P35346 3/20 0.39
PTPN1 P18031 8/20 0.39
CDC25B P30305 8/20 0.39
PTPN2 P17706 4/20 0.39
PTPN6 P29350 4/20 0.39
PTPN11 Q06124 4/20 0.39
NT5E P21589 1/20 0.39
TACR2 P21452 2/20 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
SCHEMBL2132819 1.00 HTR1A (0.41) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL12605355 0.89 TACR2 (0.43) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL12605362 0.89 PTPN1 (0.43) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL12605363 0.88 HTR1A (0.40) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL12605361 0.88 HTR1A (0.41) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL2131277 0.87 HTR1A (0.39) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL2131583 0.87 PTPN1 (0.43) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL12605357 0.86 SSTR1 (0.42) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL1776327 0.83 SLC5A2 (0.39) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL2131482 0.83 PTPN1 (0.41) HTR1ASSTR1SSTR2SSTR4SSTR3

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
WO-2010147430-A2 NOVEL C-ARYL GLUCOSIDE SGLT2 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2010-12-23 WO disclosed