Scyllitol

Scyllitol

SCHEMBL6670313

C[N+](C)(C)CCO.NCCO.N[C@@H](CO)C(=O)O.OC1C(O)C(O)C(O)C(O)C1O.[H+]

nearest known ligand 0.38

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Known targets — ChEMBL curated mechanism

ADORA1ADORA2AADORA2BADORA3GNRHRMPLPDE3APDE3BPDE4APDE4BPDE4CPDE4DPPARASLC5A2

The experimentally established mechanism targets of Scyllitol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 1/20 0.36
SLC5A7 Q9GZV3 1/20 0.36
GSR P00390 1/20 0.33
SLC1A1 P43005 1/20 0.33
SLC7A5 Q01650 1/20 0.32

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
Inositol SCHEMBL6670311 1.00 MEN1 (0.36) MEN1LMNAKMT2ACYP3A4SLC5A7
Choline SCHEMBL1683101 0.87 KMT2A (0.48) MEN1LMNAKMT2ACYP3A4SLC5A7
Choline SCHEMBL1683106 0.87 KMT2A (0.48) MEN1LMNAKMT2ACYP3A4SLC5A7
Inositol SCHEMBL9018781 0.79 SLC1A1 (0.48) KMT2AGSRSLC1A1SLC7A5
Serine SCHEMBL2812861 0.77 SLC1A1 (0.50) KMT2AGSRSLC1A1SLC7A5
Inositol SCHEMBL3339578 0.77 SLC1A1 (0.50) KMT2AGSRSLC1A1SLC7A5
Inositol SCHEMBL21243345 0.77 SLC1A1 (0.50) KMT2AGSRSLC1A1SLC7A5
Serine SCHEMBL2812858 0.77 SLC1A1 (0.50) KMT2AGSRSLC1A1SLC7A5
Ornithine Aketoglutarate SCHEMBL29232510 0.76 GSR (0.58) MEN1LMNAKMT2ACYP3A4SLC5A7
Inositol SCHEMBL21296266 0.74 CPT2 (0.37) LMNASLC1A1SLC7A5

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-0743017-B1 Application of phospholipases in animal feed DSM IP ASSETS BV (NL) 2004-09-29 EP disclosed