SCHEMBL15975402

SCHEMBL15975402

CC(=O)O[C@H]1C(O[C@@H]2OC(C)[C@H](OCc3ccccc3)C(OCc3ccccc3)[C@@H]2O[C@@H]2OC(C)[C@H](OCc3ccccc3)C(O[C@H]3OC(COCc4ccccc4)[C@@H](OCc4ccccc4)C(OCc4ccccc4)C3C)[C@@H]2C)[C@@H](OCc2ccccc2)C(C)O[C@H]1C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.45
▸ PTPN1 P18031 11/20 0.44
▸ PTPN2 P17706 5/20 0.44
▸ PTPN11 Q06124 5/20 0.44
▸ GJB2 P29033 1/20 0.43
▸ CDC25B P30305 8/20 0.43
▸ PTPN6 P29350 4/20 0.42
▸ FGF1 P05230 2/20 0.42
▸ FGF2 P09038 2/20 0.42
▸ VEGFA P15692 2/20 0.42
▸ HPSE Q9Y251 2/20 0.42
▸ SSTR1 P30872 1/20 0.40
▸ SSTR2 P30874 1/20 0.40
▸ SSTR4 P31391 1/20 0.40
▸ SSTR3 P32745 1/20 0.40
▸ SSTR5 P35346 1/20 0.40
▸ TACR2 P21452 1/20 0.40

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
SCHEMBL13129899 0.98 NT5E (0.47) NT5EPTPN1PTPN2PTPN11GJB2
SCHEMBL13129945 0.98 NT5E (0.47) NT5EPTPN1PTPN2PTPN11GJB2
SCHEMBL13129966 0.98 NT5E (0.47) NT5EPTPN1PTPN2PTPN11GJB2
SCHEMBL15975386 0.95 NT5E (0.48) NT5EPTPN1PTPN2PTPN11GJB2
SCHEMBL15975406 0.95 NT5E (0.43) NT5EPTPN1PTPN2PTPN11GJB2
SCHEMBL15975407 0.94 NT5E (0.43) NT5EPTPN1PTPN2PTPN11GJB2
SCHEMBL13129822 0.93 NT5E (0.52) NT5EPTPN1PTPN2PTPN11GJB2
SCHEMBL13129942 0.92 NT5E (0.45) NT5EPTPN1PTPN2PTPN11GJB2
SCHEMBL13129931 0.90 NT5E (0.47) NT5EPTPN1PTPN2PTPN11GJB2
SCHEMBL15975415 0.88 GJB2 (0.48) NT5EPTPN1PTPN2PTPN11GJB2

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-8815239-B2 Glycoconjugates and use thereof as vaccine against Shigella flexneri serotype 3a and X INSTITUT PASTEUR (FR) 2014-08-26 — — US disclosed
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