SCHEMBL1754628

SCHEMBL1754628

COc1c(C)cccc1C1SC(c2ccc(F)cc2)=NN1C(=O)c1ccccc1O

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 20/20 0.69
NR1H3 Q13133 14/20 0.69

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
SCHEMBL1754015 0.93 NR1H2 (0.68) NR1H2NR1H3
SCHEMBL1754435 0.88 NR1H2 (0.65) NR1H2NR1H3
SCHEMBL1754506 0.87 NR1H2 (0.65) NR1H2NR1H3
SCHEMBL1754673 0.86 NR1H2 (0.64) NR1H2NR1H3
SCHEMBL2109260 0.86 NR1H2 (0.64) NR1H2NR1H3
SCHEMBL1754511 0.85 NR1H2 (0.71) NR1H2NR1H3
SCHEMBL1753959 0.85 NR1H2 (0.57) NR1H2NR1H3
SCHEMBL1754012 0.85 NR1H2 (0.57) NR1H2NR1H3
SCHEMBL1754683 0.84 NR1H2 (0.63) NR1H2NR1H3
SCHEMBL1754505 0.84 NR1H2 (0.72) NR1H2NR1H3

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-8158662-B2 Compounds and compositions as LXR modulators HAMILTON (BM) 2012-04-17 US disclosed