SCHEMBL4087677

SCHEMBL4087677

CC(C)(C)[Si](OCC12CNOC(C(n3ccc(=O)[nH]c3=O)O1)C2OCc1ccc2ccccc2c1)(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
B4GALT1 P15291 4/20 0.35
NT5E P21589 1/20 0.32
GSTA2 P09210 1/20 0.32
GSTP1 P09211 1/20 0.32
GSTM1 P09488 1/20 0.32
SMYD2 Q9NRG4 1/20 0.32
DUT P33316 1/20 0.31
P2RY6 Q15077 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 2/20 0.30
KCNH2 Q12809 2/20 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
SCHEMBL4078234 0.89 B4GALT1 (0.35) B4GALT1NT5EGSTA2GSTP1GSTM1
SCHEMBL4078213 0.79 P2RY6 (0.33) NT5ESMYD2DUTP2RY6
SCHEMBL4087674 0.77 B4GALT1 (0.33) B4GALT1NT5EGSTA2GSTP1GSTM1
SCHEMBL4087682 0.77 B4GALT1 (0.33) B4GALT1NT5EGSTA2GSTP1GSTM1
SCHEMBL13722051 0.76 DUT (0.36) NT5ESMYD2DUTP2RY6
SCHEMBL4084077 0.76 P2RY6 (0.40) NT5ESMYD2DUTP2RY6
SCHEMBL13722080 0.76 P2RY6 (0.40) NT5ESMYD2DUTP2RY6
SCHEMBL4081020 0.76 P2RY6 (0.40) NT5ESMYD2DUTP2RY6
SCHEMBL4083979 0.75 NT5E (0.41) NT5ESMYD2DUTP2RY6
SCHEMBL15074429 0.73 DUT (0.37) NT5ESMYD2DUTP2RY6

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