SCHEMBL2364992

SCHEMBL2364992

CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@@H]1[C@@H](OCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 12/20 0.49
▸ SELP P16109 2/20 0.44
▸ PTPN1 P18031 6/20 0.41
▸ CDC25B P30305 5/20 0.41
▸ PTPN2 P17706 2/20 0.40
▸ PTPN6 P29350 2/20 0.40
▸ PTPN11 Q06124 2/20 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
SCHEMBL2311714 1.00 TLR4 (0.49) TLR4SELPPTPN1CDC25BPTPN2
SCHEMBL2314104 0.94 TLR4 (0.45) TLR4SELPPTPN1CDC25BPTPN2
SCHEMBL2306681 0.92 TLR4 (0.56) TLR4SELP
SCHEMBL2306676 0.92 TLR4 (0.56) TLR4SELP
SCHEMBL2316002 0.92 TLR4 (0.56) TLR4SELP
SCHEMBL2315995 0.92 TLR4 (0.56) TLR4SELP
SCHEMBL2364990 0.92 TLR4 (0.57) TLR4
SCHEMBL2311712 0.92 TLR4 (0.57) TLR4
SCHEMBL18789819 0.89 TLR4 (0.56) TLR4SELP
SCHEMBL2306482 0.89 TLR4 (0.58) TLR4SELP

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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