SCHEMBL15468488

SCHEMBL15468488

B[C@@H]1OC[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1OC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.37
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
SMYD2 Q9NRG4 3/20 0.35
CYP3A4 P08684 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
TSHR P16473 1/20 0.32
ABCB1 P08183 2/20 0.31
SLC18A3 Q16572 1/20 0.31

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
SCHEMBL30274800 0.80 PTPN1 (0.41) BCHETSHRABCB1
SCHEMBL10126419 0.75 TSHR (0.35) TSHR
SCHEMBL10126288 0.75 TSHR (0.37) CA1CA2CA9TSHR
SCHEMBL16386068 0.75 TSHR (0.37) CA1CA2CA9TSHR
SCHEMBL31645107 0.74 SMYD2 (0.33) BCHEPOLBSMYD2CYP3A4HTT
SCHEMBL8462236 0.72 SLC18A3 (0.43) BCHETSHRSLC18A3
SCHEMBL872255 0.72 TSHR (0.39) POLBTSHR
SCHEMBL18512832 0.72 LMNA (0.39) SMYD2CYP3A4TSHR
SCHEMBL13433828 0.72 SMYD2 (0.32) SMYD2CYP3A4HTTSMN1; SMN2ABCB1
SCHEMBL610200 0.72 SMYD2 (0.33) SMYD2CYP3A4HTTSMN1; SMN2

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
EP-1562971-B1 POLYCYCLIC SUGAR SURROGATE-CONTAINING OLIGOMERIC COMPOUNDS AND COMPOSITIONS FOR USE IN GENE MODULATION ISIS PHARMACEUTICALS INC (US) 2014-02-12 EP disclosed