SCHEMBL8513989

SCHEMBL8513989

COC(=O)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 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.36
PTPN2 P17706 3/20 0.34
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CDC25B P30305 1/20 0.33
SSTR1 P30872 1/20 0.33
SSTR2 P30874 1/20 0.33
SSTR4 P31391 1/20 0.33
SSTR3 P32745 1/20 0.33
SSTR5 P35346 1/20 0.33
OPRM1 P35372 3/20 0.33
OPRK1 P41145 1/20 0.33
PTPN11 Q06124 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
BCHE P06276 1/20 0.32
PDPK1 O15530 1/20 0.31
MTOR P42345 1/20 0.31
FGF1 P05230 1/20 0.31

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
SCHEMBL8513985 1.00 PTPN1 (0.36) PTPN1PTPN2CYP2C9CYP2C19CDC25B
SCHEMBL8513204 0.84 SSTR1 (0.35) PTPN1CDC25BSSTR1SSTR2SSTR4
SCHEMBL8513448 0.84 SSTR1 (0.35) PTPN1PTPN2CDC25BSSTR1SSTR2
SCHEMBL8513450 0.84 SSTR1 (0.35) PTPN1PTPN2CDC25BSSTR1SSTR2
SCHEMBL14932066 0.78 SSTR1 (0.37) PTPN1PTPN2SSTR1SSTR2SSTR4
SCHEMBL14932065 0.78 SSTR1 (0.37) PTPN1PTPN2SSTR1SSTR2SSTR4
SCHEMBL2014901 0.70 SLC6A2 (0.35) PTPN1PTPN2CDC25BSSTR1SSTR2
SCHEMBL2014900 0.70 SLC6A2 (0.35) PTPN1PTPN2CDC25BSSTR1SSTR2
SCHEMBL8779233 0.69 SLC6A2 (0.42) PTPN1PTPN2SSTR1SSTR2SSTR4
SCHEMBL2013392 0.69 SSTR1 (0.35) PTPN1PTPN2CYP2C9CYP2C19SSTR1

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