SCHEMBL2306934

SCHEMBL2306934

CCCCCCCCCCC[C@H](CC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OCc2ccccc2)[C@@H]1NC(=O)OCC(Cl)(Cl)Cl)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LGALS8 O00214 1/20 0.42
▸ TLR4 O00206 11/20 0.42
▸ SELP P16109 1/20 0.40
▸ MAG P20916 1/20 0.36
▸ SYNJ2 O15056 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ ALPL P05186 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ ALPI P09923 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALPG P10696 1/20 0.35
▸ PABPC1 P11940 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ GALK1 P51570 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ CASP6 P55212 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ RIN1 Q13671 1/20 0.35

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
SCHEMBL2306939 1.00 LGALS8 (0.42) LGALS8TLR4SELPMAGSYNJ2
SCHEMBL2313099 0.84 TLR4 (0.44) TLR4SELP
SCHEMBL2313867 0.83 TLR4 (0.39) LGALS8TLR4SELP
SCHEMBL2310244 0.83 TLR4 (0.50) TLR4SELP
SCHEMBL6565889 0.82 TLR4 (0.49) LGALS8TLR4SELP
SCHEMBL6565888 0.82 TLR4 (0.49) LGALS8TLR4SELP
SCHEMBL29608129 0.82 TLR4 (0.45) LGALS8TLR4SELP
SCHEMBL9786197 0.82 TLR4 (0.49) LGALS8TLR4SELP
SCHEMBL9786193 0.82 TLR4 (0.49) LGALS8TLR4SELP
SCHEMBL2311527 0.81 LGALS8 (0.47) LGALS8MAG

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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