SCHEMBL14136535

SCHEMBL14136535

CCCCCC/C=C\CCCCCCCCCC(=O)N[C@H]1C(OC)OC(COC)[C@@H](O)C1OCCC(CCCCCCC)OC

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 7/20 0.70
▸ MCHR1 Q99705 5/20 0.41
▸ SELP P16109 3/20 0.40
▸ SSTR3 P32745 5/20 0.40
▸ SSTR5 P35346 5/20 0.40
▸ SSTR2 P30874 3/20 0.40
▸ SSTR1 P30872 1/20 0.39
▸ SSTR4 P31391 1/20 0.39

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
SCHEMBL10042131 0.93 TLR4 (0.61) TLR4SELP
SCHEMBL13803789 0.91 TLR4 (0.66) TLR4MCHR1SELPSSTR3SSTR5
SCHEMBL12762975 0.91 TLR4 (0.66) TLR4MCHR1SELPSSTR3SSTR5
SCHEMBL12601197 0.91 TLR4 (0.66) TLR4MCHR1SELPSSTR3SSTR5
SCHEMBL10042148 0.91 TLR4 (0.66) TLR4MCHR1SELPSSTR3SSTR5
SCHEMBL10070895 0.91 TLR4 (0.66) TLR4MCHR1SELPSSTR3SSTR5
SCHEMBL17471186 0.91 TLR4 (0.60) TLR4SELP
SCHEMBL15292202 0.91 TLR4 (0.60) TLR4SELP
SCHEMBL13302898 0.88 TLR4 (0.76) TLR4
SCHEMBL13286608 0.88 TLR4 (0.76) TLR4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1939209-A1 PROCESS FOR PRODUCTION OF LIPID A ANALOGUE Eisai R&D Management Co., Ltd. (JP) 2008-07-02 — — EP disclosed
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