SCHEMBL2013392

SCHEMBL2013392

CCCC[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 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
SLC6A2 P23975 1/20 0.33
FGF1 P05230 3/20 0.33
FGF2 P09038 3/20 0.33
VEGFA P15692 3/20 0.33
HPSE Q9Y251 3/20 0.33
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 2/20 0.32
TSHR P16473 2/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PDPK1 O15530 1/20 0.32
MTOR P42345 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
SCHEMBL2013391 1.00 SSTR1 (0.35) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL2014901 0.90 SLC6A2 (0.35) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL2014900 0.90 SLC6A2 (0.35) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL11982138 0.85 TNF (0.33) GJB2
SCHEMBL17148796 0.84 SLC6A2 (0.37) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL8513204 0.82 SSTR1 (0.35) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL2008170 0.82 SSTR1 (0.37) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL2008169 0.82 SSTR1 (0.37) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL2012812 0.80 BCHE (0.40) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL2012813 0.80 BCHE (0.40) 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