Sugi Predict

Sugi Predict / Compounds / SCHEMBL7220338

SCHEMBL7220338

SCHEMBL7220338

CCC(Oc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl)c1ccc(OC(C)C(=O)O)cc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PPOX P50336 2/20 0.35
▸ PPARG P37231 8/20 0.34
▸ DHODH Q02127 7/20 0.34
▸ ADORA2A P29274 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HSD17B10 Q99714 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
SCHEMBL7220083 0.90 PPARG (0.34) PPOXPPARGDHODHPTGDR2
SCHEMBL7227626 0.88 PTGDR2 (0.35) PPOXPPARGDHODHADORA2AADORA2B
SCHEMBL7226544 0.87 PPOX (0.33) PPOXPPARGDHODHPTGDR2
SCHEMBL7719036 0.86 PPOX (0.40) PPOXPPARGDHODHPTGDR2KDM4E
SCHEMBL4572159 0.86 PPOX (0.40) PPOXPPARGDHODHPTGDR2KDM4E
SCHEMBL2149762 0.86 PPOX (0.40) PPOXPPARGDHODHPTGDR2KDM4E
SCHEMBL7225862 0.85 PPARG (0.37) PPOXPPARGDHODH
SCHEMBL7227026 0.83 DHODH (0.34) PPOXPPARGDHODH
SCHEMBL7219701 0.83 PPARG (0.38) PPOXPPARGDHODH
SCHEMBL3240495 0.82 BCAT1 (0.38) PPOXPPARGDHODH

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
US-6664214-B1 Uracil compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-12-16 — — US disclosed