SCHEMBL2309941

SCHEMBL2309941

O=C1c2ccccc2C(=O)N1[C@H]1[C@H](OCc2ccccc2)O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.39
▸ LGALS3 P17931 1/20 0.38
▸ BCHE P06276 1/20 0.37
▸ PTPN1 P18031 6/20 0.36
▸ CDC25B P30305 6/20 0.36
▸ PTPN2 P17706 3/20 0.36
▸ PTPN6 P29350 3/20 0.36
▸ PTPN11 Q06124 3/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ SSTR1 P30872 1/20 0.36
▸ SSTR2 P30874 1/20 0.36
▸ SSTR4 P31391 1/20 0.36
▸ SSTR3 P32745 1/20 0.36
▸ SSTR5 P35346 1/20 0.36
▸ FGF1 P05230 2/20 0.36
▸ FGF2 P09038 2/20 0.36
▸ VEGFA P15692 2/20 0.36
▸ HPSE Q9Y251 2/20 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
SCHEMBL2309944 1.00 NT5E (0.39) NT5ELGALS3BCHEPTPN1CDC25B
SCHEMBL2309948 0.93 NT5E (0.35) NT5ELGALS3BCHEPTPN1CDC25B
SCHEMBL2309951 0.93 NT5E (0.35) NT5ELGALS3BCHEPTPN1CDC25B
SCHEMBL2313402 0.87 TYMP (0.43) LGALS3TYMP
SCHEMBL2313405 0.87 TYMP (0.43) LGALS3TYMP
SCHEMBL2312270 0.86 NT5E (0.49) NT5EPTPN1CDC25BPTPN2PTPN6
SCHEMBL2314117 0.84 TYMP (0.39) NT5ELGALS3SSTR5TYMP
SCHEMBL2312267 0.83 LGALS3 (0.50) NT5ELGALS3BCHEPTPN1CDC25B
SCHEMBL23742905 0.81 SSTR1 (0.48) NT5EPTPN1CDC25BPTPN2PTPN6
SCHEMBL30105333 0.81 SSTR1 (0.48) NT5EPTPN1CDC25BPTPN2PTPN6

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-1232168-B1 SYNTHETIC LIPID-A ANALOGS AND USES THEREOF ONCOTHYREON INC (US) 2011-08-03 — — EP disclosed
US-7491707-B1 Synthetic lipid-a-analogs and uses thereof BIOMIRA, INC. (CA) 2009-02-17 — — US 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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