SCHEMBL13199410

SCHEMBL13199410

CC[C@@H]1OC(C)[C@H](COC[C@@H]2OC(CO)[C@@H](COC[C@@H]3OC(C)[C@@H](COC[C@@H]4OC(CO)[C@@H](O)[C@H](OC)[C@@H]4O)[C@H](O)[C@@H]3O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OGA O60502 1/20 0.33
▸ LGALS8 O00214 2/20 0.32
▸ CA2 P00918 1/20 0.31
▸ FGF1 P05230 1/20 0.31
▸ PYGB P11216 1/20 0.30

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
SCHEMBL10185805 0.90 LGALS8 (0.33) LGALS8PYGB
SCHEMBL16187163 0.90 CA2 (0.32) CA2
SCHEMBL16687520 0.89 LGALS3 (0.39) OGALGALS8PYGB
SCHEMBL14366120 0.87 CA2 (0.33) OGACA2FGF1PYGB
SCHEMBL25834664 0.85 CA2 (0.39) LGALS8CA2PYGB
SCHEMBL14338482 0.83 CA2 (0.35) OGACA2PYGB
SCHEMBL14296411 0.83 CA2 (0.35) OGACA2PYGB
SCHEMBL16675113 0.83 CA2 (0.35) OGACA2PYGB
SCHEMBL12873387 0.82 CA2 (0.31) CA2
SCHEMBL21554948 0.82 CA2 (0.36) LGALS8CA2PYGB

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-7767011-B2 Aqueous gel ink compositions and method of printing same XEROX CORPORATION (US) 2010-08-03 — — US disclosed
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