SCHEMBL2012324

SCHEMBL2012324

C[C@@H]1C[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)[C@H](O[C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](O[C@@H](CC3CCCCC3)C(=O)OCc3ccccc3)[C@H]2OCc2ccccc2)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 12/20 0.39
PTPN2 P17706 6/20 0.39
PTPN11 Q06124 5/20 0.39
CDC25B P30305 8/20 0.38
SELE P16581 3/20 0.37
PTPN6 P29350 4/20 0.37
GJB2 P29033 1/20 0.37
NT5E P21589 1/20 0.36
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

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
SCHEMBL2012326 1.00 PTPN1 (0.39) PTPN1PTPN2PTPN11CDC25BSELE
SCHEMBL11898936 0.89 SELE (0.45) SELENT5E
SCHEMBL11898935 0.89 SELE (0.45) SELENT5E
SCHEMBL2005571 0.87 PTPN1 (0.39) PTPN1PTPN2PTPN11CDC25BSELE
SCHEMBL2008985 0.87 SELE (0.40) PTPN1PTPN2PTPN11CDC25BSELE
SCHEMBL2008982 0.87 SELE (0.40) PTPN1PTPN2PTPN11CDC25BSELE
SCHEMBL2005573 0.87 PTPN1 (0.39) PTPN1PTPN2PTPN11CDC25BSELE
SCHEMBL2007774 0.85 SELE (0.44) PTPN1PTPN2PTPN11CDC25BSELE
SCHEMBL2007771 0.85 SELE (0.44) PTPN1PTPN2PTPN11CDC25BSELE
SCHEMBL2009282 0.84 SELE (0.42) PTPN1PTPN2PTPN11CDC25BSELE

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