SCHEMBL8515951

SCHEMBL8515951

C[C@@H]1C[CH][C@@H](O[C@@H]2O[C@H](C)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@@H](C)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

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
GJB2 P29033 2/20 0.35
PTPN1 P18031 2/20 0.34
PTPN2 P17706 1/20 0.34
PTPN11 Q06124 1/20 0.34
BCHE P06276 2/20 0.33
PDPK1 O15530 1/20 0.33
MTOR P42345 1/20 0.33
FGF1 P05230 2/20 0.32
FGF2 P09038 2/20 0.32
VEGFA P15692 2/20 0.32
HPSE Q9Y251 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL8515950 1.00 SLC6A2 (0.35) SLC6A2SSTR1SSTR2SSTR4SSTR3
SCHEMBL2006603 0.80 SLC6A2 (0.37) SLC6A2SSTR1SSTR2SSTR4SSTR3
SCHEMBL2006606 0.80 SLC6A2 (0.37) SLC6A2SSTR1SSTR2SSTR4SSTR3
SCHEMBL7775231 0.77 PDPK1 (0.45) SLC6A2SSTR1SSTR2SSTR4SSTR3
SCHEMBL8513450 0.75 SSTR1 (0.35) SLC6A2SSTR1SSTR2SSTR4SSTR3
SCHEMBL14932066 0.75 SSTR1 (0.37) SLC6A2SSTR1SSTR2SSTR4SSTR3
SCHEMBL8513448 0.75 SSTR1 (0.35) SLC6A2SSTR1SSTR2SSTR4SSTR3
SCHEMBL14932065 0.75 SSTR1 (0.37) SLC6A2SSTR1SSTR2SSTR4SSTR3
SCHEMBL25362771 0.75 SSTR1 (0.54) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL7152150 0.75 SSTR1 (0.54) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074132-B1 GLYCOMIMETIC REPLACEMENTS FOR HEXOSES AND N-ACETYL HEXOSAMINES GLYCOMIMETICS INC (US) 2013-05-15 EP disclosed
EP-2457573-A1 Methods of use of glycomimetics with replacements for hexoses and N-Acetyl hexosamines GlycoMimetics, Inc. (US) 2012-05-30 EP disclosed