SCHEMBL27713402

SCHEMBL27713402

C=CC(C(C)C)S(=O)(=O)c1cccc(-c2ccc(-n3cc(C(F)(F)F)nc3-c3ccccc3C(F)(F)F)nc2)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 5/20 0.45
NR1H2 P55055 4/20 0.45
RXRA P19793 3/20 0.45
PTGS2 P35354 13/20 0.37
PTGS1 P23219 5/20 0.37
USP1 O94782 1/20 0.35
WDR48 Q8TAF3 1/20 0.35
HSD11B1 P28845 1/20 0.34

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
SCHEMBL3578836 0.89 NR1H3 (0.49) NR1H3NR1H2RXRAPTGS2PTGS1
SCHEMBL3579751 0.85 NR1H2 (0.61) NR1H3NR1H2RXRAPTGS2PTGS1
SCHEMBL27713401 0.82 NR1H2 (0.46) NR1H3NR1H2RXRAPTGS2PTGS1
SCHEMBL3576864 0.78 NR1H2 (0.59) NR1H3NR1H2RXRAPTGS2PTGS1
SCHEMBL3581954 0.77 RXRA (0.65) NR1H3NR1H2RXRAPTGS2PTGS1
SCHEMBL3581868 0.75 NR1H2 (0.76) NR1H3NR1H2RXRAPTGS2PTGS1
SCHEMBL27733838 0.75 RXRA (0.41) NR1H3NR1H2RXRAPTGS2PTGS1
SCHEMBL3583139 0.72 RXRA (0.80) NR1H3NR1H2RXRAPTGS2PTGS1
SCHEMBL3588201 0.71 NR1H2 (0.62) NR1H3NR1H2RXRAPTGS2PTGS1
SCHEMBL3585160 0.70 RXRA (0.65) NR1H3NR1H2RXRAPTGS2PTGS1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101248049-B Imidazole based lxr modulators EXELIXIS INC 2013-08-28 CN claimed
CN-101248049-B Imidazole based lxr modulators EXELIXIS INC 2013-08-28 CN disclosed
CN-101248049-A Imidazole based LXR modulators EXELIXIS INC (US) 2008-08-20 CN disclosed