SCHEMBL15344652

SCHEMBL15344652

CC(C)S(=O)(=O)c1cc(-c2ccccc2)ccc1-n1cc(C(C)(C)O)nc1-c1ccccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RXRA P19793 12/20 0.49
NR1H2 P55055 12/20 0.49
NR1H3 Q13133 12/20 0.49
PTGS2 P35354 6/20 0.39
HSD11B1 P28845 2/20 0.39
PTGS1 P23219 2/20 0.37

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
SCHEMBL3588201 0.86 NR1H2 (0.62) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3584666 0.84 NR1H2 (0.54) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL15344605 0.83 NR1H2 (0.49) RXRANR1H2NR1H3PTGS2HSD11B1
SCHEMBL3575840 0.82 RXRA (0.51) RXRANR1H2NR1H3PTGS2
SCHEMBL3579036 0.80 NR1H2 (0.61) RXRANR1H2NR1H3PTGS2HSD11B1
SCHEMBL3576062 0.80 NR1H2 (0.76) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3586673 0.80 RXRA (0.62) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3580463 0.79 NR1H2 (0.60) RXRANR1H2NR1H3PTGS2HSD11B1
SCHEMBL14621199 0.79 RXRA (0.64) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3583381 0.79 NR1H2 (0.51) RXRANR1H2NR1H3PTGS2HSD11B1

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-8569352-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2013-10-29 US claimed