SCHEMBL3232273

SCHEMBL3232273

NC(=S)[C@]1(O)O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PYGB P11216 8/20 0.44
▸ PYGL P06737 3/20 0.44
▸ PYGM P11217 2/20 0.44
▸ GBA1 P04062 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ LMNA P02545 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL30483689 0.83 PYGB (0.41) PYGBPYGLPYGMGBA1GAA
SCHEMBL28775128 0.83 PYGB (0.51) PYGBPYGLPYGMGBA1GAA
SCHEMBL28495873 0.83 PYGB (0.51) PYGBPYGLPYGMGBA1GAA
SCHEMBL5676433 0.83 PYGB (0.51) PYGBPYGLPYGMGBA1GAA
SCHEMBL28664605 0.78 PYGB (0.45) PYGBPYGLPYGMGBA1LMNA
SCHEMBL27731941 0.78 PYGB (0.45) PYGBPYGLPYGMGBA1LMNA
SCHEMBL9862851 0.78 PYGB (0.45) PYGBPYGLPYGMGBA1LMNA
SCHEMBL1842510 0.78 PYGB (0.45) PYGBPYGLPYGMGBA1LMNA
SCHEMBL1842511 0.78 PYGB (0.45) PYGBPYGLPYGMGBA1LMNA
SCHEMBL27742914 0.77 PYGB (0.45) PYGBPYGLPYGMGBA1GAA

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
WO-2010009091-A2 ANTI-INFLAMMATORY AND ANTI-ALLERGY EXTRACTS FROM NETTLE HERBALSCIENCE GROUP, LLC (US) 2010-01-21 — — WO disclosed
Send feedback