SCHEMBL2772849

SCHEMBL2772849

Cc1cc(OCc2c(C(C)C)cnn2-c2c(Cl)cccc2Cl)ccc1CCOc1cccc(C)c1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 7/20 0.54
PPARA Q07869 4/20 0.37
PPARG P37231 3/20 0.37
FFAR1 O14842 1/20 0.37
MAPK14 Q16539 2/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
PPARD Q03181 2/20 0.34
MEN1 O00255 1/20 0.33
SLC26A4 O43511 1/20 0.33
KMT2A Q03164 1/20 0.33
PDGFRA P16234 1/20 0.33
S1PR1 P21453 1/20 0.33
ROCK1 Q13464 1/20 0.33
S1PR5 Q9H228 1/20 0.33
TRPM4 Q8TD43 1/20 0.33
MCL1 Q07820 1/20 0.32

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
SCHEMBL2771389 0.91 NR1H4 (0.54) NR1H4PPARAPPARGFFAR1MAPK14
SCHEMBL2771809 0.88 NR1H4 (0.54) NR1H4PPARAPPARGFFAR1MAPK14
SCHEMBL2772480 0.88 NR1H4 (0.60) NR1H4PPARAPPARGMRGPRX4
SCHEMBL2772157 0.88 NR1H4 (0.53) NR1H4PPARAPPARGFFAR1MAPK14
SCHEMBL2773708 0.88 NR1H4 (0.53) NR1H4PPARAPPARGFFAR1MAPK14
SCHEMBL2770890 0.87 NR1H4 (0.64) NR1H4PPARAPPARGMRGPRX4
SCHEMBL2786965 0.87 NR1H4 (0.52) NR1H4PPARAPPARGFFAR1MAPK14
SCHEMBL2770526 0.87 NR1H4 (0.57) NR1H4MRGPRX4TRPM4
SCHEMBL2770295 0.83 NR1H4 (0.55) NR1H4FFAR1MAPK14MRGPRX4PPARD
SCHEMBL2787707 0.83 NR1H4 (0.59) NR1H4MRGPRX4PPARDMEN1SLC26A4

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
EP-2029547-B1 FXR AGONISTS LILLY CO ELI (US) 2010-04-28 EP disclosed