SCHEMBL6836958

SCHEMBL6836958

CN1C(=O)C(=NCN[C@H]2[C@@H](OCc3ccccc3)O[C@H](CO)[C@@H](O)[C@@H]2O)C(=O)N(C)C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.39
▸ LGALS8 O00214 1/20 0.39
▸ SYNJ2 O15056 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ ALPL P05186 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ ALPI P09923 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALPG P10696 1/20 0.37
▸ PABPC1 P11940 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ GALK1 P51570 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ CASP6 P55212 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ RIN1 Q13671 1/20 0.37
▸ EIF4H Q15056 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36

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
SCHEMBL6842119 0.81 POLB (0.41) SLC6A2LGALS8POLBHRAS
SCHEMBL6841596 0.81 POLB (0.41) SLC6A2LGALS8POLBHRAS
SCHEMBL6842300 0.80 LGALS8 (0.41) SLC6A2LGALS8SYNJ2KDM4EABL1
SCHEMBL6837139 0.78 SLC6A2 (0.38) SLC6A2LGALS8SYNJ2KDM4EABL1
SCHEMBL6841532 0.77 PDCD1 (0.35) SLC6A2LGALS8CYP1A2PTPN1
SCHEMBL6841527 0.76 SLC6A2 (0.38) SLC6A2LGALS8SYNJ2KDM4EABL1
SCHEMBL6841364 0.76 CA2 (0.39) SLC6A2LGALS8POLBHRAS
SCHEMBL6837019 0.76 LGALS8 (0.38) LGALS8SYNJ2KDM4EABL1ALPL
SCHEMBL7150940 0.73 MAPK1 (0.58) POLBHRAS
SCHEMBL13031052 0.73 MAPK1 (0.58) POLBHRAS

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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