SCHEMBL2426652

SCHEMBL2426652

CCOC(=O)C(Cc1ccc(OC)c(C(F)(F)F)c1)C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.47
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
PPARA Q07869 8/20 0.41
PPARG P37231 7/20 0.40
PPARD Q03181 7/20 0.40
EPHX2 P34913 5/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39

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
SCHEMBL2426032 0.86 EPHX2 (0.42) RXRARXRBRXRGPPARGEPHX2
SCHEMBL11010315 0.84 LDHA (0.66) LDHAPKMALOX15
SCHEMBL2424748 0.84 IDO1 (0.45) PPARAPPARGEPHX2PTGDR2
SCHEMBL2048973 0.84 LDHA (0.54) LDHAPKMALOX15
SCHEMBL28672180 0.83 LDHA (0.52) LDHAPKMALOX15
SCHEMBL28670825 0.81 LDHA (0.50) LDHAPKMALOX15
SCHEMBL3773692 0.81 LDHA (0.50) LDHAPKMALOX15
SCHEMBL31361313 0.81 LDHA (0.50) LDHAPKMALOX15
SCHEMBL15246756 0.78 PPARG (0.54) PPARAPPARGEPHX2
SCHEMBL491026 0.77 LDHA (0.71) LDHAPKMALOX15

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
WO-2011114148-A1 4H- [1, 2, 4] TRIAZOLO [5, 1 -B] PYRIMIDIN-7 -ONE DERIVATIVES AS CCR2B RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2011-09-22 WO disclosed