SCHEMBL10448982

SCHEMBL10448982

CO[C@H]1[C@@H](OCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](O[C@@H]2O[C@H](COCc3ccccc3)[C@H](OC(C)=O)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GJB2 P29033 1/20 0.54
▸ PTPN1 P18031 11/20 0.51
▸ CDC25B P30305 8/20 0.51
▸ PTPN2 P17706 6/20 0.49
▸ PTPN11 Q06124 5/20 0.49
▸ PTPN6 P29350 4/20 0.49
▸ NT5E P21589 1/20 0.49
▸ SSTR1 P30872 1/20 0.48
▸ SSTR2 P30874 1/20 0.48
▸ SSTR4 P31391 1/20 0.48
▸ SSTR3 P32745 1/20 0.48
▸ SSTR5 P35346 1/20 0.48
▸ SELP P16109 1/20 0.44
▸ FGF1 P05230 1/20 0.43
▸ FGF2 P09038 1/20 0.43
▸ VEGFA P15692 1/20 0.43
▸ HPSE Q9Y251 1/20 0.43

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
SCHEMBL8992075 0.94 SSTR1 (0.55) GJB2PTPN1CDC25BPTPN2PTPN11
SCHEMBL8992079 0.94 SSTR1 (0.55) GJB2PTPN1CDC25BPTPN2PTPN11
SCHEMBL22677444 0.91 SSTR1 (0.55) GJB2PTPN1CDC25BPTPN2PTPN11
SCHEMBL22677443 0.91 SSTR1 (0.55) GJB2PTPN1CDC25BPTPN2PTPN11
SCHEMBL22678415 0.91 SSTR1 (0.57) GJB2PTPN1CDC25BPTPN2PTPN11
SCHEMBL22677692 0.91 SSTR1 (0.57) GJB2PTPN1CDC25BPTPN2PTPN11
SCHEMBL22677699 0.91 SSTR1 (0.57) GJB2PTPN1CDC25BPTPN2PTPN11
SCHEMBL22677754 0.89 SSTR1 (0.51) GJB2PTPN1PTPN2PTPN11NT5E
SCHEMBL22677447 0.89 SSTR1 (0.51) GJB2PTPN1PTPN2PTPN11NT5E
SCHEMBL8991992 0.89 SSTR1 (0.59) PTPN1CDC25BPTPN2PTPN11PTPN6

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
EP-0390674-A1 Novel alpha-glucosidase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1990-10-03 — — EP disclosed
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