SCHEMBL2309529

SCHEMBL2309529

CCCCCCCCCCCCCC(=O)N[C@@H](CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](O)[C@@H]1OC(=O)CCCCCCCCCCCCC)C(=O)NCCCCCCCCC

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SELP P16109 4/20 0.43
▸ SSTR4 P31391 3/20 0.42
▸ SIRT2 Q8IXJ6 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TLR4 O00206 1/20 0.41
▸ SSTR3 P32745 5/20 0.41
▸ SSTR5 P35346 5/20 0.41
▸ SSTR2 P30874 3/20 0.40
▸ SSTR1 P30872 1/20 0.40
▸ MCHR1 Q99705 3/20 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
SCHEMBL2309533 0.94 SELP (0.46) SELPSIRT2MEN1ALDH1A1HPGD
SCHEMBL2310195 0.89 TLR4 (0.49) SELPSSTR4SIRT2TLR4SSTR3
SCHEMBL2310190 0.89 TLR4 (0.49) SELPSSTR4SIRT2TLR4SSTR3
SCHEMBL2309654 0.89 TLR4 (0.44) SELPTLR4
SCHEMBL2311952 0.88 TLR4 (0.49) SELPSIRT2TLR4
SCHEMBL2311946 0.88 TLR4 (0.49) SELPSIRT2TLR4
SCHEMBL2313810 0.81 TLR4 (0.52) SELPTLR4
SCHEMBL10961054 0.80 TLR4 (0.58) SELPSSTR4TLR4SSTR3SSTR5
SCHEMBL10961052 0.80 TLR4 (0.58) SELPSSTR4TLR4SSTR3SSTR5
SCHEMBL2308769 0.80 TLR4 (0.51) SELPTLR4

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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