SCHEMBL1754645

SCHEMBL1754645

CCCNC(=O)COc1cccc(C2SC(c3ccc(F)cc3)=NN2C(=O)C2CCCCC2)c1OC

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 19/20 0.53
NR1H3 Q13133 14/20 0.53
HPGD P15428 1/20 0.36

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
SCHEMBL1753992 0.94 NR1H2 (0.53) NR1H2NR1H3HPGD
SCHEMBL1754666 0.88 NR1H2 (0.59) NR1H2NR1H3
SCHEMBL1754262 0.88 NR1H2 (0.58) NR1H2NR1H3
SCHEMBL1756045 0.87 NR1H2 (0.51) NR1H2NR1H3
SCHEMBL1754644 0.86 NR1H2 (0.65) NR1H2NR1H3
SCHEMBL1754648 0.86 NR1H2 (0.73) NR1H2NR1H3
SCHEMBL1754694 0.86 NR1H2 (0.73) NR1H2NR1H3
SCHEMBL1754351 0.85 NR1H2 (0.58) NR1H2NR1H3
SCHEMBL1754642 0.85 NR1H2 (0.64) NR1H2NR1H3
SCHEMBL1754646 0.84 NR1H2 (0.74) 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