SCHEMBL1754720

SCHEMBL1754720

CC[C@H](NC(=O)COc1cccc(C2SC(c3ccc(F)cc3)=NN2C(=O)c2ccccc2O)c1OC)C(=O)OC

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 20/20 0.57
NR1H3 Q13133 14/20 0.56

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
SCHEMBL13576180 0.94 NR1H2 (0.57) NR1H2NR1H3
SCHEMBL1754608 0.94 NR1H2 (0.57) NR1H2NR1H3
SCHEMBL1754706 0.91 NR1H2 (0.56) NR1H2NR1H3
SCHEMBL1754707 0.91 NR1H2 (0.56) NR1H2NR1H3
SCHEMBL1754273 0.91 NR1H2 (0.56) NR1H2NR1H3
SCHEMBL1754717 0.91 NR1H2 (0.56) NR1H2NR1H3
SCHEMBL1754609 0.91 NR1H2 (0.56) NR1H2NR1H3
SCHEMBL1754279 0.91 NR1H2 (0.59) NR1H2NR1H3
SCHEMBL1754713 0.90 NR1H2 (0.55) NR1H2NR1H3
SCHEMBL1754601 0.89 NR1H2 (0.57) 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