SCHEMBL4414816

SCHEMBL4414816

OC(c1ccc2c(ccn2Cc2cccc(I)c2I)c1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.39
EPHX2 P34913 1/20 0.35
RORA P35398 5/20 0.34
RORC P51449 5/20 0.34
RORB Q92753 5/20 0.34
PGR P06401 4/20 0.34
KCNQ3 O43525 2/20 0.34
KCNQ2 O43526 2/20 0.34
KCNQ4 P56696 2/20 0.34
KCNQ5 Q9NR82 2/20 0.34
PLAU P00749 3/20 0.34
NR1H3 Q13133 1/20 0.34
PLG P00747 1/20 0.34
PPARA Q07869 1/20 0.34
PPARG P37231 1/20 0.34
APP P05067 1/20 0.32
ERBB2 P04626 1/20 0.32
SERPINE1 P05121 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
SCHEMBL1811641 0.78 APP (0.49) PPARDPGRKCNQ3KCNQ2KCNQ4
SCHEMBL4418147 0.74 PPARG (0.46) PPARDEPHX2PGRKCNQ3KCNQ2
SCHEMBL5561770 0.72 CDK4 (0.42) PPARDRORARORCRORBPGR
SCHEMBL5557629 0.70 PGR (0.42) RORARORCRORBPGRKCNQ3
SCHEMBL15601470 0.68 HTR6 (0.49) EPHX2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL15612904 0.66 HDAC6 (0.49) KCNQ3KCNQ2KCNQ4KCNQ5PLAU
SCHEMBL15612769 0.65 PLAU (0.55) KCNQ3KCNQ2KCNQ4KCNQ5PLAU
SCHEMBL15525692 0.64 PLG (0.45) RORCKCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL4432441 0.64 PGR (0.43) RORARORCRORBPGRNR1H3
SCHEMBL15612754 0.63 KCNQ3 (0.50) KCNQ3KCNQ2KCNQ4KCNQ5PLAU

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-1756096-B1 INDOLYL DERIVATIVES AS LIVER-X-RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2009-08-12 EP disclosed