SCHEMBL2311035

SCHEMBL2311035

C=CCO[C@H]1[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@H](OCc2ccccc2)[C@H]1N1C(=O)c2ccccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.44
▸ PTPN1 P18031 9/20 0.42
▸ CDC25B P30305 8/20 0.42
▸ PTPN2 P17706 5/20 0.42
▸ PTPN11 Q06124 5/20 0.42
▸ PTPN6 P29350 4/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ SSTR1 P30872 1/20 0.39
▸ SSTR2 P30874 1/20 0.39
▸ SSTR4 P31391 1/20 0.39
▸ SSTR3 P32745 1/20 0.39
▸ SSTR5 P35346 1/20 0.39
▸ BCHE P06276 1/20 0.37
▸ LGALS3 P17931 1/20 0.37
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL2312270 0.92 NT5E (0.49) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL2311027 0.89 LGALS3 (0.45) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL2309948 0.88 NT5E (0.35) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL2309951 0.88 NT5E (0.35) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL11102696 0.84 NT5E (0.45) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL16633056 0.83 LGALS3 (0.46) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL17456128 0.83 NT5E (0.48) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL8654521 0.83 HTR1A (0.46) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL17456127 0.83 NT5E (0.48) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL9853892 0.82 PTPN1 (0.52) NT5EPTPN1CDC25BPTPN2PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1232168-B1 SYNTHETIC LIPID-A ANALOGS AND USES THEREOF ONCOTHYREON INC (US) 2011-08-03 — — EP disclosed
EP-1232168-A2 SYNTHETIC LIPID-A ANALOGS AND USES THEREOF BIOMIRA, INC. (CA) 2002-08-21 — — EP disclosed
WO-2001036433-A2 SYNTHETIC LIPID-A ANALOGS AND USES THEREOF BIOMIRA, INC. (CA) 2001-05-25 — — WO disclosed
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