SCHEMBL2014901

SCHEMBL2014901

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.35
SSTR1 P30872 1/20 0.35
SSTR2 P30874 1/20 0.35
SSTR4 P31391 1/20 0.35
SSTR3 P32745 1/20 0.35
SSTR5 P35346 1/20 0.35
FGF1 P05230 2/20 0.35
FGF2 P09038 2/20 0.35
VEGFA P15692 2/20 0.35
HPSE Q9Y251 2/20 0.35
SELE P16581 1/20 0.34
PDPK1 O15530 1/20 0.34
MTOR P42345 1/20 0.34
GJB2 P29033 2/20 0.33
PTPN1 P18031 3/20 0.33
PTPN2 P17706 1/20 0.33
PTPN11 Q06124 1/20 0.33
BCHE P06276 2/20 0.32
CDC25B P30305 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
SCHEMBL2014900 1.00 SLC6A2 (0.35) SLC6A2SSTR1SSTR2SSTR4SSTR3
SCHEMBL2013391 0.90 SSTR1 (0.35) SLC6A2SSTR1SSTR2SSTR4SSTR3
SCHEMBL2013392 0.90 SSTR1 (0.35) SLC6A2SSTR1SSTR2SSTR4SSTR3
SCHEMBL17148796 0.88 SLC6A2 (0.37) SLC6A2SSTR1SSTR2SSTR4SSTR3
SCHEMBL22494141 0.86 SLC6A2 (0.33) SLC6A2SSTR1SSTR2SSTR4SSTR3
SCHEMBL2012813 0.85 BCHE (0.40) SLC6A2SSTR1SSTR2SSTR4SSTR3
SCHEMBL2012812 0.85 BCHE (0.40) SLC6A2SSTR1SSTR2SSTR4SSTR3
SCHEMBL2008170 0.85 SSTR1 (0.37) SLC6A2SSTR1SSTR2SSTR4SSTR3
SCHEMBL2008169 0.85 SSTR1 (0.37) SLC6A2SSTR1SSTR2SSTR4SSTR3
SCHEMBL8779233 0.82 SLC6A2 (0.42) SLC6A2SSTR1SSTR2SSTR4SSTR3

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