SCHEMBL9448371

SCHEMBL9448371

COC([C@H]1O[C@H](OC)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)[C@@H]1O[C@H](C(O)Cc2ccccc2)[C@@H](COC(C)=O)[C@@](O)(Cc2ccccc2)[C@]1(O)Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.37
PTPN2 P17706 6/20 0.37
BCHE P06276 6/20 0.35
SSTR1 P30872 1/20 0.35
SSTR2 P30874 1/20 0.35
SSTR4 P31391 1/20 0.35
SSTR3 P32745 1/20 0.35
SSTR5 P35346 1/20 0.35
LGALS8 O00214 1/20 0.33
CDC25B P30305 4/20 0.32
PTPN6 P29350 2/20 0.32
PTPN11 Q06124 2/20 0.32
CYP2D6 P10635 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
LGALS3 P17931 1/20 0.31

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
SCHEMBL9448313 0.89 SSTR1 (0.35) PTPN1PTPN2BCHESSTR1SSTR2
SCHEMBL9448369 0.86 PTPN2 (0.33) PTPN1PTPN2BCHESSTR1SSTR2
SCHEMBL9448148 0.78 PTPN1 (0.36) PTPN1PTPN2BCHESSTR1SSTR2
SCHEMBL9447950 0.75 TSHR (0.39) PTPN1CYP2D6ALDH1A1MAPK1
SCHEMBL22393136 0.68 SSTR1 (0.47) PTPN1PTPN2BCHESSTR1SSTR2
SCHEMBL15663016 0.68 BCHE (0.44) PTPN1PTPN2BCHESSTR1SSTR2
SCHEMBL9448157 0.68 SSTR1 (0.48) PTPN1PTPN2BCHESSTR1SSTR2
SCHEMBL15663017 0.67 BCHE (0.43) PTPN1PTPN2BCHESSTR1SSTR2
SCHEMBL7156237 0.67 SSTR1 (0.46) PTPN1PTPN2BCHESSTR1SSTR2
SCHEMBL7153007 0.67 SSTR1 (0.46) PTPN1PTPN2BCHESSTR1SSTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0532668-A1 NOVEL -g(a)-GLUCOSIDASE INHIBITORS. MERRELL DOW PHARMA (US) 1993-03-24 EP disclosed
WO-1991018915-A1 NOVEL α-GLUCOSIDASE INHIBITORS MERRELL DOW PHARMACEUTICALS INC. (US) 1991-12-12 WO disclosed