SCHEMBL6259406

SCHEMBL6259406

CC1(C)CC(CN=C=S)C(C)(C)N1O

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL632418 0.79
SCHEMBL17931191 0.74 GAA (0.54) GAAL3MBTL1
SCHEMBL12846238 0.72 GAA (0.52) GAAL3MBTL1
SCHEMBL4853121 0.72 GAA (0.52) GAAL3MBTL1
SCHEMBL14924253 0.71 GAA (0.50) GAAL3MBTL1
Hydrochloric Acid SCHEMBL4960439 0.71 GAA (0.50) GAAL3MBTL1
SCHEMBL14924878 0.71 GAA (0.50) GAAL3MBTL1
SCHEMBL1932618 0.71 GAA (0.50) GAAL3MBTL1
Hydrochloric Acid SCHEMBL4436968 0.69 GAA (0.48) GAAL3MBTL1
SCHEMBL6558988 0.69 GAA (0.48) GAAL3MBTL1

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-2005003759-A1 A METHOD FOR ANALYSIS OF A BEVERAGE NATIONAL UNIVERSITY OF SINGAPORE (SG) 2005-01-13 WO disclosed