SCHEMBL1490630

SCHEMBL1490630

C=CC(=O)C=C(c1ccc(O)c(OC(F)(F)F)c1)c1ccc(O)c(OC(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APP P05067 13/20 0.46
GCGR P47871 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.36
SLC22A8 Q8TCC7 1/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.36
CXCL12 P48061 1/20 0.33

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
SCHEMBL1490943 0.81 MEN1 (0.58) SLC22A6SLC22A8MEN1RAB9AKMT2A
SCHEMBL1490921 0.78 P4HB (0.43) APP
SCHEMBL1490975 0.78 EPHX2 (0.44) RAB9AKMT2A
SCHEMBL3648979 0.76 HTT (0.61) APPGCGRSLC22A6SLC22A8MEN1
SCHEMBL10322973 0.74 APP (0.50) APPGCGRSLC22A6SLC22A8MEN1
SCHEMBL3641624 0.74 APP (0.50) APPGCGRSLC22A6SLC22A8MEN1
SCHEMBL16061281 0.74 HTT (0.55) SLC22A6SLC22A8MEN1RAB9AKMT2A
SCHEMBL10321468 0.72 CA12 (0.59) APPGCGRSLC22A6SLC22A8MEN1
SCHEMBL24436791 0.71 APP (0.50) APPGCGRSLC22A6SLC22A8MEN1
SCHEMBL2664110 0.71 APP (0.54) APPGCGRKMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2477698-A2 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES Centre National de la Recherche Scientifique (FR) 2012-07-25 EP disclosed
WO-2011033115-A2 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-03-24 WO disclosed