SCHEMBL6841364

SCHEMBL6841364

CCCC(C)(C)C(N[C@H]1[C@@H](OCc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1O)=C1C(=O)N(C)C(=O)N(C)C1=O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.39
▸ CA9 Q16790 3/20 0.39
▸ CA1 P00915 2/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ SLC6A2 P23975 1/20 0.37
▸ LGALS8 O00214 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAG P20916 1/20 0.35
▸ HRAS P01112 1/20 0.35

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
SCHEMBL6841596 0.85 POLB (0.41) CA2CA9CA1MAPK1SLC6A2
SCHEMBL6842119 0.85 POLB (0.41) CA2CA9CA1MAPK1SLC6A2
SCHEMBL6837139 0.81 SLC6A2 (0.38) CA2CA9CA1SLC6A2LGALS8
SCHEMBL6837019 0.80 LGALS8 (0.38) CA2CA9CA1MAPK1LGALS8
SCHEMBL6836958 0.76 SLC6A2 (0.39) SLC6A2LGALS8POLBHRAS
SCHEMBL21058378 0.75 CA1 (0.48) CA2CA9CA1MAPK1SLC6A2
SCHEMBL7150940 0.74 MAPK1 (0.58) MAPK1POLBHRAS
SCHEMBL20643560 0.74 MAPK1 (0.58) MAPK1POLBHRAS
SCHEMBL13031052 0.74 MAPK1 (0.58) MAPK1POLBHRAS
SCHEMBL21097246 0.74 MAPK1 (0.58) MAPK1POLBHRAS

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-6765089-B1 FOR USE IN THE SYNTHESIS OF PEPTIDES, OLIGOSACCHARIDES, GLYCOPEPTIDES AND GLYCOLIPIDS ALCHEMIA PTY LTD (AU) 2004-07-20 — — US disclosed
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