SCHEMBL3232264

SCHEMBL3232264

NC(=O)C1(S)O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PYGB P11216 8/20 0.50
PYGL P06737 3/20 0.43
PYGM P11217 2/20 0.43
LMNA P02545 2/20 0.35
GBA1 P04062 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL27936287 0.84 PYGB (0.44) PYGBPYGLPYGMLMNAGBA1
SCHEMBL6131050 0.82 PYGB (0.43) PYGBPYGLPYGMLMNAGBA1
SCHEMBL7454320 0.82 PYGB (0.43) PYGBPYGLPYGM
SCHEMBL28495873 0.76 PYGB (0.51) PYGBPYGLPYGMLMNAGBA1
SCHEMBL5676433 0.76 PYGB (0.51) PYGBPYGLPYGMLMNAGBA1
SCHEMBL28775128 0.76 PYGB (0.51) PYGBPYGLPYGMLMNAGBA1
SCHEMBL17422130 0.74 HK1 (0.41) PYGBPYGLPYGM
SCHEMBL2844313 0.71 PYGB (0.57) PYGBPYGLPYGM
SCHEMBL7590934 0.71 PYGB (0.43) PYGBPYGLPYGMLMNAGBA1
SCHEMBL30163554 0.71 PYGB (0.43) PYGBPYGLPYGMLMNAGBA1

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