SCHEMBL1754630

SCHEMBL1754630

COc1c(OCc2cccc(CC(C)=O)c2)cccc1C1SC(c2ccc(F)cc2)=NN1C(=O)c1c(F)cc(F)cc1F

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 20/20 0.73
NR1H3 Q13133 14/20 0.73

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
SCHEMBL1754652 0.95 NR1H2 (0.74) NR1H2NR1H3
SCHEMBL1754243 0.94 NR1H2 (0.73) NR1H2NR1H3
SCHEMBL1754219 0.91 NR1H2 (0.69) NR1H2NR1H3
SCHEMBL1754617 0.91 NR1H2 (0.73) NR1H2NR1H3
SCHEMBL1754008 0.90 NR1H2 (0.74) NR1H2NR1H3
SCHEMBL1754189 0.89 NR1H2 (0.73) NR1H2NR1H3
SCHEMBL1753977 0.89 NR1H2 (0.72) NR1H2NR1H3
SCHEMBL1754425 0.89 NR1H2 (0.72) NR1H2NR1H3
SCHEMBL1754456 0.89 NR1H2 (0.72) NR1H2NR1H3
SCHEMBL1754311 0.89 NR1H2 (0.75) 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