SCHEMBL2012813

SCHEMBL2012813

C=C[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 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.40
SLC6A2 P23975 1/20 0.36
ACHE P22303 1/20 0.36
SSTR1 P30872 1/20 0.34
SSTR2 P30874 1/20 0.34
SSTR4 P31391 1/20 0.34
SSTR3 P32745 1/20 0.34
SSTR5 P35346 1/20 0.34
PDPK1 O15530 1/20 0.33
MTOR P42345 1/20 0.33
GJB2 P29033 2/20 0.33
TSHR P16473 1/20 0.32
PTPN1 P18031 2/20 0.32
PTPN2 P17706 1/20 0.32
PTPN11 Q06124 1/20 0.32
FGF1 P05230 2/20 0.32
FGF2 P09038 2/20 0.32
VEGFA P15692 2/20 0.32
HPSE Q9Y251 2/20 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
SCHEMBL2012812 1.00 BCHE (0.40) BCHESLC6A2ACHESSTR1SSTR2
SCHEMBL17148796 0.86 SLC6A2 (0.37) BCHESLC6A2SSTR1SSTR2SSTR4
SCHEMBL2014900 0.85 SLC6A2 (0.35) BCHESLC6A2SSTR1SSTR2SSTR4
SCHEMBL2014901 0.85 SLC6A2 (0.35) BCHESLC6A2SSTR1SSTR2SSTR4
SCHEMBL2008169 0.83 SSTR1 (0.37) BCHESLC6A2SSTR1SSTR2SSTR4
SCHEMBL2008170 0.83 SSTR1 (0.37) BCHESLC6A2SSTR1SSTR2SSTR4
SCHEMBL17148761 0.83 BCHE (0.36) BCHESLC6A2ACHESSTR1SSTR2
SCHEMBL17148773 0.83 BCHE (0.36) BCHESLC6A2ACHESSTR1SSTR2
SCHEMBL19479297 0.83 BCHE (0.36) BCHESLC6A2ACHESSTR1SSTR2
SCHEMBL19479353 0.83 BCHE (0.36) BCHESLC6A2ACHESSTR1SSTR2

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