SCHEMBL1971069

SCHEMBL1971069

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.39
MTOR P42345 1/20 0.39
TNF P01375 1/20 0.39
LGALS8 O00214 1/20 0.37
ALDH1A1 P00352 4/20 0.36
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ABCB1 P08183 1/20 0.33
NT5E P21589 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
FGF2 P09038 1/20 0.33
MDK P21741 1/20 0.33
TACR2 P21452 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
SCHEMBL1491955 0.90 PDPK1 (0.36) PDPK1MTORTNFLGALS8ALDH1A1
SCHEMBL30689829 0.87 SSTR5 (0.42) KDM4ELMNA
SCHEMBL13129921 0.87 PDPK1 (0.43) PDPK1MTORALDH1A1CYP2C9CYP2C19
SCHEMBL2804636 0.87 PDPK1 (0.43) PDPK1MTORALDH1A1CYP2C9CYP2C19
SCHEMBL25365555 0.82 PDPK1 (0.47) PDPK1MTORTNFALDH1A1
SCHEMBL6544929 0.82 PDPK1 (0.47) PDPK1MTORTNFALDH1A1
SCHEMBL9051284 0.82 PDPK1 (0.47) PDPK1MTORTNFALDH1A1
SCHEMBL31065200 0.82 PDPK1 (0.47) PDPK1MTORTNFALDH1A1
SCHEMBL16319220 0.82 PDPK1 (0.47) PDPK1MTORTNFALDH1A1
SCHEMBL2456260 0.82 PDPK1 (0.47) PDPK1MTORTNFALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2164521-B1 GLYCOCONJUGATES AND USE THEREOF AS VACCINE AGAINST SHIGELLA FLEXNERI SEROTYPE 3A AND X PASTEUR INSTITUT (FR) 2018-09-12 EP disclosed
EP-2369345-B1 Glycoconjugates and their use as potential vaccines against infection by shigella flexneri PASTEUR INSTITUT (FR) 2014-10-01 EP disclosed
EP-2369345-A1 Glycoconjugates and their use as potential vaccines against infection by shigella flexneri Institut Pasteur (FR) 2011-09-28 EP disclosed
EP-1642132-B1 GLYCOCONJUGATES AND THEIR USE AS POTENTIAL VACCINES AGAINST INFECTION BY SHIGELLA FLEXNERI PASTEUR INSTITUT (FR) 2011-06-22 EP disclosed