SCHEMBL2013222

SCHEMBL2013222

C[C@H]1O[C@H](O[C@H]2CC[C@H](C(C)(C)C)C[C@H]2O)[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 0.38
SLC18A3 Q16572 2/20 0.34
PDE4D Q08499 1/20 0.34
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
KMT2A Q03164 2/20 0.33
BCHE P06276 1/20 0.33
RECQL P46063 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PDPK1 O15530 1/20 0.33
MTOR P42345 1/20 0.33
GJB2 P29033 2/20 0.33
PTPN1 P18031 2/20 0.32
PTPN2 P17706 1/20 0.32
PTPN11 Q06124 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL2013219 1.00 SLC6A2 (0.38) SLC6A2SLC18A3PDE4DSSTR1SSTR2
SCHEMBL8779233 0.83 SLC6A2 (0.42) SLC6A2SLC18A3PDE4DSSTR1SSTR2
SCHEMBL9613564 0.81 GJB2 (0.32) GJB2
SCHEMBL11982150 0.81 GJB2 (0.32) GJB2
SCHEMBL9613566 0.81 GJB2 (0.32) GJB2
SCHEMBL8514371 0.80 SSTR1 (0.36) SLC6A2SSTR1SSTR2SSTR4SSTR3
SCHEMBL8514373 0.80 SSTR1 (0.36) SLC6A2SSTR1SSTR2SSTR4SSTR3
SCHEMBL17148796 0.75 SLC6A2 (0.37) SLC6A2PDE4DSSTR1SSTR2SSTR4
SCHEMBL2006606 0.75 SLC6A2 (0.37) SLC6A2PDE4DSSTR1SSTR2SSTR4
SCHEMBL2006603 0.75 SLC6A2 (0.37) SLC6A2PDE4DSSTR1SSTR2SSTR4

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