SCHEMBL2313405

SCHEMBL2313405

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

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 15/20 0.43
▸ LGALS3 P17931 1/20 0.41
▸ IDO1 P14902 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34

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
SCHEMBL2313402 1.00 TYMP (0.43) TYMPLGALS3IDO1SLC6A2
SCHEMBL2309944 0.87 NT5E (0.39) TYMPLGALS3
SCHEMBL2309941 0.87 NT5E (0.39) TYMPLGALS3
SCHEMBL2314117 0.86 TYMP (0.39) TYMPLGALS3SLC6A2
SCHEMBL9332545 0.84 LGALS3 (0.52) LGALS3SLC6A2
SCHEMBL2307547 0.84 LGALS3 (0.52) LGALS3SLC6A2
SCHEMBL2307564 0.84 LGALS3 (0.52) LGALS3SLC6A2
SCHEMBL15513809 0.81 TYMP (0.45) TYMPSLC6A2
SCHEMBL2309951 0.81 NT5E (0.35) TYMPLGALS3
SCHEMBL2309948 0.81 NT5E (0.35) TYMPLGALS3

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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