SCHEMBL10960740

SCHEMBL10960740

C=CCO[C@H]1O[C@H](COC(=O)CCCCCCCCCCCCCCC)[C@@H](OCC=C)[C@H](OCc2ccccc2)[C@@H]1NC(=O)CCCCCCCCCCCCCCC

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SELP P16109 5/20 0.42
▸ TLR4 O00206 7/20 0.42
▸ MCHR1 Q99705 2/20 0.41
▸ SSTR3 P32745 4/20 0.41
▸ SSTR5 P35346 4/20 0.41
▸ SSTR2 P30874 2/20 0.41
▸ LMNA P02545 1/20 0.40
▸ LY96 Q9Y6Y9 3/20 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
SCHEMBL10960734 0.93 MCHR1 (0.48) SELPMCHR1SSTR3SSTR5SSTR2
SCHEMBL7226347 0.93 LMNA (0.45) SELPLMNA
SCHEMBL10957917 0.84 SELP (0.49) SELPTLR4MCHR1SSTR3SSTR5
SCHEMBL10957912 0.84 SELP (0.49) SELPTLR4MCHR1SSTR3SSTR5
SCHEMBL2314104 0.82 TLR4 (0.45) SELPTLR4
SCHEMBL21058359 0.81 LMNA (0.48) TLR4MCHR1SSTR3SSTR5SSTR2
SCHEMBL2314102 0.81 TLR4 (0.52) TLR4
SCHEMBL10957996 0.80 TLR4 (0.44) SELPTLR4MCHR1SSTR3SSTR5
SCHEMBL10958002 0.80 TLR4 (0.44) SELPTLR4MCHR1SSTR3SSTR5
SCHEMBL10961242 0.80 MCHR1 (0.47) SELPMCHR1SSTR3SSTR5SSTR2

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
US-4495346-A CATALYTICALLY COUPLING TWO MONOSACCHARIDES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1985-01-22 — — US disclosed
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