SCHEMBL40749

SCHEMBL40749

OC[C@H]1O[C@](O)(c2cc[c]cc2)[C@H](O)[C@@H](O)[C@H]1O

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PYGB P11216 4/20 0.36
▸ PYGL P06737 4/20 0.36
▸ PYGM P11217 2/20 0.36
▸ SLC5A2 P31639 1/20 0.34

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
SCHEMBL27800133 1.00 PYGB (0.36) PYGBPYGLPYGMSLC5A2
SCHEMBL4622083 0.83 SLC5A2 (0.38) PYGBPYGLPYGMSLC5A2
SCHEMBL10417574 0.83 SLC5A2 (0.38) PYGBPYGLPYGMSLC5A2
SCHEMBL29752599 0.83 SLC5A2 (0.38) PYGBPYGLPYGMSLC5A2
SCHEMBL12762745 0.83 SLC5A2 (0.38) PYGBPYGLPYGMSLC5A2
SCHEMBL4622079 0.83 SLC5A2 (0.38) PYGBPYGLPYGMSLC5A2
SCHEMBL14939308 0.83 SLC5A2 (0.38) PYGBPYGLPYGMSLC5A2
SCHEMBL28237927 0.81 SLC5A2 (0.38) PYGBPYGLPYGMSLC5A2
SCHEMBL27680022 0.77 CA12 (0.36) PYGBPYGLPYGM
SCHEMBL27678953 0.77 SLC5A2 (0.39) PYGBPYGLPYGMSLC5A2

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-2012006038-A2 AGENTS AND COMPOUNDS FOR IMAGING AND OTHER APPLICATIONS, AND METHODS OF USE AND SYNTHESIS THEREOF THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-01-12 — — WO disclosed
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