SCHEMBL9145474

SCHEMBL9145474

C=CCO[C@H]1[C@@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@@H](O[C@@H]2[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H](OCC[Si](C)(C)C)O[C@@H]2COCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SSTR1 P30872 2/20 0.47
SSTR2 P30874 2/20 0.47
SSTR4 P31391 2/20 0.47
SSTR3 P32745 2/20 0.47
SSTR5 P35346 2/20 0.47
PTPN1 P18031 10/20 0.45
CDC25B P30305 8/20 0.45
PTPN2 P17706 5/20 0.44
PTPN11 Q06124 5/20 0.44
PTPN6 P29350 4/20 0.44
GJB2 P29033 1/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
HTR1A P08908 1/20 0.42
NT5E P21589 1/20 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
SCHEMBL8928604 0.90 SSTR1 (0.48) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL13038862 0.90 SSTR1 (0.48) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL1775254 0.90 SSTR1 (0.48) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL9167095 0.90 SSTR1 (0.48) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL1775256 0.90 SSTR1 (0.48) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL2533916 0.89 SSTR1 (0.49) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL10524725 0.88 SSTR1 (0.57) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL10524731 0.88 SSTR1 (0.57) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL8653092 0.88 SSTR1 (0.57) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL8429519 0.88 SSTR1 (0.57) SSTR1SSTR2SSTR4SSTR3SSTR5

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
US-5474986-A Galabiose derivatives modified at 3* and anomeric positions SYMBICOM AKTIEBOLAG (SE) 1995-12-12 US disclosed
EP-0428605-B1 SYNTHETIC RECEPTOR ANALOGUES SYMBICOM AB (SE) 1994-10-19 EP disclosed