SCHEMBL13722258

SCHEMBL13722258

B[C@@H]1O[C@](CCOS(=O)(=O)c2ccc(C)cc2)(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC)[C@H]1OC(C)=O

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LGALS9 O00182 1/20 0.31
LGALS3 P17931 1/20 0.31
SMYD2 Q9NRG4 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
SCHEMBL13722125 0.92 LGALS9 (0.33) LGALS9LGALS3SMYD2
SCHEMBL15489103 0.84 CNR1 (0.31)
SCHEMBL21484588 0.84 LGALS9 (0.33) LGALS9LGALS3SMYD2
SCHEMBL13722428 0.83 SMYD2 (0.30) SMYD2
SCHEMBL13722697 0.80 SMYD2 (0.30) SMYD2
SCHEMBL13722465 0.77 TDP1 (0.32) SMYD2
SCHEMBL13433828 0.75 SMYD2 (0.32) SMYD2
SCHEMBL13722040 0.74 MMP9 (0.32) SMYD2
SCHEMBL15489104 0.74 CNR1 (0.34)
SCHEMBL13722137 0.73 SMYD2 (0.31) SMYD2

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-7569686-B1 Compounds and methods for synthesis of bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2009-08-04 US disclosed