SCHEMBL4087674

SCHEMBL4087674

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
B4GALT1 P15291 4/20 0.33
GSTA2 P09210 1/20 0.33
GSTP1 P09211 1/20 0.33
GSTM1 P09488 1/20 0.33
TDP1 Q9NUW8 1/20 0.31
NT5E P21589 1/20 0.30
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
SCHEMBL4087677 0.77 B4GALT1 (0.35) B4GALT1GSTA2GSTP1GSTM1NT5E
SCHEMBL4084072 0.76 NT5E (0.36) NT5EMEN1KMT2A
SCHEMBL4087682 0.76 B4GALT1 (0.33) B4GALT1GSTA2GSTP1GSTM1NT5E
SCHEMBL4078234 0.69 B4GALT1 (0.35) B4GALT1GSTA2GSTP1GSTM1NT5E
SCHEMBL711087 0.68
SCHEMBL4078237 0.68 B4GALT1 (0.33) B4GALT1GSTA2GSTP1GSTM1NT5E
SCHEMBL707764 0.64 TDP1 (0.36) TDP1NT5E
SCHEMBL4074795 0.62 MEN1 (0.33) B4GALT1MEN1KMT2A
SCHEMBL705462 0.62 P2RY2 (0.30)
SCHEMBL24637959 0.62 P2RY6 (0.41)

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