SCHEMBL578076

SCHEMBL578076

COC(=O)C1CC(COc2nc(-c3nc(C(F)(F)F)cs3)nc3c(C)c(OC)ccc23)CCN1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
IDH1 O75874 2/20 0.32
PRKCI P41743 2/20 0.30

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
SCHEMBL13090493 0.88 PIM2 (0.37) PPARDPPARAIDH1
SCHEMBL578241 0.88 PIM2 (0.37) PPARDPPARAIDH1
SCHEMBL578223 0.78 PIM2 (0.41) PPARDPPARA
SCHEMBL13090476 0.78 PIM2 (0.41) PPARDPPARA
SCHEMBL578075 0.76 PIK3CD (0.34) PPARDPPARAIDH1
SCHEMBL16264825 0.73 PIM1 (0.40) PPARDPPARA
SCHEMBL577800 0.72 PDE4B (0.36) PPARDPPARAIDH1
SCHEMBL13090489 0.71 TP53 (0.38) PPARDPPARA
SCHEMBL591780 0.69 EGFR (0.34) PPARDPPARA
SCHEMBL13090495 0.69 EGFR (0.34) PPARDPPARA

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-2417134-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2012-02-15 EP disclosed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed