SCHEMBL8931466

SCHEMBL8931466

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 7/20 0.44
▸ SSTR4 P31391 3/20 0.44
▸ MAG P20916 1/20 0.44
▸ SSTR5 P35346 2/20 0.44
▸ SSTR1 P30872 1/20 0.44
▸ SSTR2 P30874 1/20 0.44
▸ SSTR3 P32745 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ MDM2 Q00987 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ CDC25B P30305 5/20 0.44
▸ PTPN2 P17706 3/20 0.43
▸ PTPN11 Q06124 3/20 0.43
▸ TACR1 P25103 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MCHR1 Q99705 1/20 0.43
▸ PTPN6 P29350 2/20 0.42

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
SCHEMBL5840925 0.90 SSTR5 (0.52) SSTR4SSTR5SSTR1SSTR2SSTR3
SCHEMBL16632757 0.90 SSTR5 (0.52) SSTR4SSTR5SSTR1SSTR2SSTR3
SCHEMBL22053387 0.90 SSTR5 (0.52) SSTR4SSTR5SSTR1SSTR2SSTR3
SCHEMBL5840823 0.90 SSTR5 (0.52) SSTR4SSTR5SSTR1SSTR2SSTR3
SCHEMBL5840827 0.90 SSTR5 (0.52) SSTR4SSTR5SSTR1SSTR2SSTR3
SCHEMBL5841004 0.90 SSTR5 (0.52) SSTR4SSTR5SSTR1SSTR2SSTR3
SCHEMBL5841003 0.90 SSTR5 (0.52) SSTR4SSTR5SSTR1SSTR2SSTR3
SCHEMBL8332665 0.89 TACR1 (0.45) PTPN1SSTR4SSTR5SSTR1SSTR2
SCHEMBL8330886 0.89 TACR1 (0.45) PTPN1SSTR4SSTR5SSTR1SSTR2
SCHEMBL12302610 0.87 NT5E (0.51) PTPN1SSTR4MAGSSTR5SSTR1

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
US-5654412-A CONVERGENT SYNTHESIS VIA TWO DISACCHARIDE SUBCOMPONENTS; SIMPLIFICATION, HIGH YIELD GLYCOMED INCORPORATED (US) 1997-08-05 — — US disclosed
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