SCHEMBL10958757

SCHEMBL10958757

CCCCCCCCCCCCCCCC(=O)N[C@@H]1[C@@H](OCc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.55
▸ SELP P16109 2/20 0.49
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TLR4 O00206 4/20 0.47
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ SSTR3 P32745 2/20 0.44
▸ SSTR5 P35346 2/20 0.44
▸ LY96 Q9Y6Y9 3/20 0.43
▸ MCHR1 Q99705 2/20 0.43

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
SCHEMBL10958752 1.00 MAPK1 (0.55) MAPK1SELPMEN1KMT2ATLR4
SCHEMBL21058378 0.92 CA1 (0.48) MAPK1CA1CA2CA9SSTR3
SCHEMBL10961054 0.89 TLR4 (0.58) SELPTLR4SSTR3SSTR5LY96
SCHEMBL10961052 0.89 TLR4 (0.58) SELPTLR4SSTR3SSTR5LY96
SCHEMBL9124937 0.86 LGALS8 (0.46) MAPK1SELPMEN1KMT2ATLR4
SCHEMBL9127387 0.86 LGALS8 (0.46) MAPK1SELPMEN1KMT2ATLR4
SCHEMBL8652701 0.86 SLC6A2 (0.48) CA1CA2CA9
SCHEMBL11015903 0.85 MAPK1 (0.48) MAPK1SELPSSTR5
SCHEMBL10957917 0.85 SELP (0.49) SELPTLR4SSTR3SSTR5MCHR1
SCHEMBL10957912 0.85 SELP (0.49) SELPTLR4SSTR3SSTR5MCHR1

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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