SCHEMBL16576331

SCHEMBL16576331

CC(C)(C)[Si](OC[C@H]1O[C@@H](O)C(O)C1O)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 2/20 0.36
HK1 P19367 2/20 0.34
HK2 P52789 2/20 0.34
ALOX15 P16050 1/20 0.34
ADORA1 P30542 2/20 0.33
SLC6A2 P23975 1/20 0.33
CYP3A4 P08684 2/20 0.33
SLC5A1 P13866 1/20 0.32
SLC5A2 P31639 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL19764252 1.00 SMYD2 (0.36) SMYD2HK1HK2ALOX15ADORA1
SCHEMBL28637106 1.00 SMYD2 (0.36) SMYD2HK1HK2ALOX15ADORA1
SCHEMBL17822565 1.00 SMYD2 (0.36) SMYD2HK1HK2ALOX15ADORA1
SCHEMBL5983168 1.00 SMYD2 (0.36) SMYD2HK1HK2ALOX15ADORA1
SCHEMBL1842898 1.00 SMYD2 (0.36) SMYD2HK1HK2ALOX15ADORA1
SCHEMBL18082320 1.00 SMYD2 (0.36) SMYD2HK1HK2ALOX15ADORA1
SCHEMBL1842894 1.00 SMYD2 (0.36) SMYD2HK1HK2ALOX15ADORA1
SCHEMBL8670998 0.99 SMYD2 (0.35) SMYD2HK1HK2ALOX15SLC6A2
SCHEMBL8671003 0.99 SMYD2 (0.35) SMYD2HK1HK2ALOX15SLC6A2
SCHEMBL5449704 0.93 SMYD2 (0.38) SMYD2ADORA1SLC6A2CYP3A4HTT

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-2015038596-A1 NUCLEOTIDE AND NUCLEOSIDE COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2015-03-19 WO disclosed