SCHEMBL4087682

SCHEMBL4087682

CC(C)(C)[SiH2]OC(c1ccccc1)(c1ccccc1)C12CNOC(C(n3ccc(=O)[nH]c3=O)O1)C2OCc1ccc2ccccc2c1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
B4GALT1 P15291 4/20 0.33
NT5E P21589 1/20 0.32
GSTA2 P09210 1/20 0.31
GSTP1 P09211 1/20 0.31
GSTM1 P09488 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL4078237 0.89 B4GALT1 (0.33) B4GALT1NT5EGSTA2GSTP1GSTM1
SCHEMBL4087677 0.77 B4GALT1 (0.35) B4GALT1NT5EGSTA2GSTP1GSTM1
SCHEMBL4087674 0.76 B4GALT1 (0.33) B4GALT1NT5EGSTA2GSTP1GSTM1
SCHEMBL4083981 0.73 NT5E (0.38) NT5E
SCHEMBL4078234 0.70 B4GALT1 (0.35) B4GALT1NT5EGSTA2GSTP1GSTM1
SCHEMBL711089 0.68 DUT (0.30)
SCHEMBL702853 0.65 P2RY14 (0.33) NT5E
SCHEMBL4075042 0.63 NT5E (0.40) NT5E
SCHEMBL707766 0.62 TDP1 (0.33) NT5E
SCHEMBL705316 0.62 P2RY6 (0.34) NT5E

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