SCHEMBL8513448

SCHEMBL8513448

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

nearest known ligand 0.35

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
FGF1 P05230 2/20 0.33
FGF2 P09038 2/20 0.33
VEGFA P15692 2/20 0.33
HPSE Q9Y251 2/20 0.33
BCHE P06276 1/20 0.32
PTPN1 P18031 4/20 0.32
CDC25B P30305 2/20 0.32
PDPK1 O15530 1/20 0.32
MTOR P42345 1/20 0.32
GJB2 P29033 1/20 0.32
SLC6A2 P23975 1/20 0.31
PTPN2 P17706 1/20 0.31
PTPN11 Q06124 1/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 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
SCHEMBL8513450 1.00 SSTR1 (0.35) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL8513204 0.90 SSTR1 (0.35) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL14932066 0.85 SSTR1 (0.37) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL14932065 0.85 SSTR1 (0.37) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL8513985 0.84 PTPN1 (0.36) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL8513989 0.84 PTPN1 (0.36) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL2014901 0.81 SLC6A2 (0.35) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL2014900 0.81 SLC6A2 (0.35) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL8515951 0.75 SLC6A2 (0.35) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL8515950 0.75 SLC6A2 (0.35) 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
EP-2457573-A1 Methods of use of glycomimetics with replacements for hexoses and N-Acetyl hexosamines GlycoMimetics, Inc. (US) 2012-05-30 EP disclosed