SCHEMBL1490921

SCHEMBL1490921

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P4HB P07237 5/20 0.43
HSD17B1 P14061 3/20 0.35
HSD17B2 P37059 3/20 0.35
APP P05067 2/20 0.35
HSP90AA1 P07900 4/20 0.35
HSP90AB1 P08238 2/20 0.33
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH5A1 P51649 1/20 0.33
ABAT P80404 1/20 0.33
MAOB P27338 1/20 0.32
ABCG2 Q9UNQ0 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
SCHEMBL1490630 0.78 APP (0.46) APP
SCHEMBL1491024 0.76 CES2 (0.52) P4HBMAOB
SCHEMBL402677 0.73 P4HB (0.62) P4HBRARARARBRARGHSD17B10
SCHEMBL1490943 0.73 MEN1 (0.58) HSD17B2HSP90AA1HSP90AB1HSD17B10ABCG2
SCHEMBL840795 0.72 KIF11 (0.51) P4HBHSD17B1HSP90AA1HSP90AB1RARA
SCHEMBL30440431 0.72 KIF11 (0.51) P4HBHSD17B1HSP90AA1HSP90AB1RARA
SCHEMBL4895466 0.72 P4HB (0.47) P4HBHSD17B1HSD17B2APPHSP90AA1
SCHEMBL2873637 0.72 LCK (0.48) P4HBHSD17B1HSD17B2HSP90AA1HSP90AB1
SCHEMBL4314105 0.71 P4HB (0.44) P4HBHSD17B1HSD17B2APPHSP90AA1
SCHEMBL9464150 0.70 LMNA (0.45)

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