SCHEMBL3817824

SCHEMBL3817824

Cc1ccccc1S(=O)(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORA P35398 6/20 0.68
RORC P51449 5/20 0.68
NR1H2 P55055 3/20 0.68
NR1H4 Q96RI1 1/20 0.68
NR1H3 Q13133 1/20 0.66
RORB Q92753 2/20 0.56
IDH1 O75874 8/20 0.55
MCL1 Q07820 1/20 0.51
HSD11B1 P28845 1/20 0.50
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ABCC9 O60706 1/20 0.47
ABCC8 Q09428 1/20 0.47
KCNJ11 Q14654 1/20 0.47
KCNJ8 Q15842 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL31078033 0.83 RORA (0.68) RORARORCNR1H2NR1H4NR1H3
SCHEMBL12334079 0.81 RORA (1.00) RORARORCNR1H2NR1H4NR1H3
SCHEMBL6922110 0.80 RORC (0.64) RORARORCNR1H2NR1H4NR1H3
SCHEMBL2415124 0.80 NR1H3 (1.00) RORARORCNR1H2NR1H4NR1H3
SCHEMBL6922116 0.79 RORA (0.62) RORARORCNR1H2NR1H4NR1H3
SCHEMBL6922105 0.79 RORA (0.62) RORARORCNR1H2NR1H4NR1H3
SCHEMBL7176615 0.77 GAA (0.67) IDH1ALDH1A1TP53TDP1SMN1; SMN2
SCHEMBL12334066 0.77 RORA (1.00) RORARORCNR1H2NR1H4NR1H3
SCHEMBL1040044 0.77 ALDH1A1 (0.59) MCL1ALDH1A1TP53TDP1SMN1; SMN2
SCHEMBL633994 0.77 ALDH1A1 (0.68) IDH1ALDH1A1TP53TDP1

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
EP-2089009-A2 USE OF LXR AGONISTS FOR THE TREATMENT OF OSTEOARTHRITIS Wyeth (US) 2009-08-19 EP claimed
WO-2008036238-A2 USE OF LXR MODULATORS FOR THE PREVENTION AND TREATMENT OF SKIN AGING WYETH (US) 2008-03-27 WO claimed
WO-2008036239-A2 USE OF LXR AGONISTS FOR THE TREATMENT OF OSTEOARTHRITIS WYETH (US) 2008-03-27 WO claimed