SCHEMBL2008170

SCHEMBL2008170

C[C@H]1O[C@H](O[C@H]2[C@H](O)CCC[C@H]2C2CC2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR1 P30872 1/20 0.37
SSTR2 P30874 1/20 0.37
SSTR4 P31391 1/20 0.37
SSTR3 P32745 1/20 0.37
SSTR5 P35346 1/20 0.37
SLC6A2 P23975 1/20 0.35
GJB2 P29033 2/20 0.35
PDPK1 O15530 1/20 0.34
MTOR P42345 1/20 0.34
BCHE P06276 2/20 0.34
PTPN1 P18031 2/20 0.33
FGF1 P05230 2/20 0.33
FGF2 P09038 2/20 0.33
VEGFA P15692 2/20 0.33
HPSE Q9Y251 2/20 0.33
PTPN2 P17706 1/20 0.33
PTPN11 Q06124 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32

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
SCHEMBL2008169 1.00 SSTR1 (0.37) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL17148796 0.88 SLC6A2 (0.37) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL2014900 0.85 SLC6A2 (0.35) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL2014901 0.85 SLC6A2 (0.35) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL2012813 0.83 BCHE (0.40) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL2012812 0.83 BCHE (0.40) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL8779233 0.82 SLC6A2 (0.42) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL2013391 0.82 SSTR1 (0.35) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL2013392 0.82 SSTR1 (0.35) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL19559748 0.81 PDPK1 (0.33) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964569-B2 Oligosaccharide mimetics such as {(1R,2R,3S)-2-[(6-Deoxy- alpha -L-Galactopyranosyl)Oxy]-3-Ethyl-Cyclohex-1-yl}2-O-Benzoyl-3-O-[(1S)-1-Carboxy-2-Cyclohexyl-Ethyl]- beta -D-Galactopyranoside GLYCOMIMETICS, INC. (US) 2011-06-21 US disclosed