SCHEMBL6562081

SCHEMBL6562081

CC(O)OC1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 11/20 0.58
▸ CDC25B P30305 8/20 0.58
▸ NT5E P21589 1/20 0.54
▸ SSTR1 P30872 1/20 0.54
▸ SSTR2 P30874 1/20 0.54
▸ SSTR4 P31391 1/20 0.54
▸ SSTR3 P32745 1/20 0.54
▸ SSTR5 P35346 1/20 0.54
▸ PTPN2 P17706 6/20 0.52
▸ PTPN11 Q06124 5/20 0.52
▸ PTPN6 P29350 4/20 0.52
▸ HTR1A P08908 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA9 Q16790 1/20 0.45

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
SCHEMBL7605821 1.00 PTPN1 (0.58) PTPN1CDC25BNT5ESSTR1SSTR2
SCHEMBL19891709 0.90 SSTR1 (0.56) PTPN1CDC25BNT5ESSTR1SSTR2
SCHEMBL26118960 0.88 SSTR1 (0.54) PTPN1CDC25BNT5ESSTR1SSTR2
SCHEMBL6562251 0.88 SSTR1 (0.56) PTPN1CDC25BNT5ESSTR1SSTR2
SCHEMBL7603036 0.86 SSTR1 (0.54) PTPN1CDC25BNT5ESSTR1SSTR2
SCHEMBL21843068 0.85 SSTR1 (0.51) PTPN1CDC25BNT5ESSTR1SSTR2
SCHEMBL7573363 0.84 SSTR1 (0.51) PTPN1CDC25BNT5ESSTR1SSTR2
SCHEMBL6809789 0.84 SSTR1 (0.59) PTPN1CDC25BNT5ESSTR1SSTR2
SCHEMBL6544934 0.84 SSTR1 (0.59) PTPN1CDC25BNT5ESSTR1SSTR2
SCHEMBL977853 0.84 SSTR1 (0.59) PTPN1CDC25BNT5ESSTR1SSTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397376-A1 METHOD FOR PRODUCING PERBENZYLATED 1-O-GLYCOSIDES SCHERING AKTIENGESELLSCHAFT (DE) 2004-03-17 — — EP disclosed
WO-2002102816-A1 METHOD FOR PRODUCING PERBENZYLATED 1-O-GLYCOSIDES SCHERING AKTIENGESELLSCHAFT (DE) 2002-12-27 — — WO disclosed
EP-1261614-A2 METHOD FOR THE PRODUCTION OF PERBENZYLATED 1-O GLYCOSIDES SCHERING AKTIENGESELLSCHAFT (DE) 2002-12-04 — — EP disclosed
WO-2001068659-A2 METHOD FOR THE PRODUCTION OF PERBENZYLATED 1-O GLYCOSIDES SCHERING AKTIENGESELLSCHAFT (DE) 2001-09-20 — — WO disclosed
Send feedback