Sugi Predict

Sugi Predict / Compounds / SCHEMBL5566741

SCHEMBL5566741

SCHEMBL5566741

CCN(Cc1nc(-c2ccc(OCc3ccccc3)cc2)oc1C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.CCN(Cc1nc(-c2cccc(C(=O)OC)c2)oc1C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 7/20 0.60
▸ NR1H3 Q13133 7/20 0.60
▸ PPARG P37231 6/20 0.45
▸ PPARA Q07869 6/20 0.45
▸ MAPT P10636 4/20 0.44
▸ CYP2C9 P11712 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43

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
SCHEMBL2080791 0.90 NR1H2 (0.73) NR1H2NR1H3PPARGPPARA
SCHEMBL1380740 0.89 NR1H2 (0.64) NR1H2NR1H3PPARGPPARAMAPT
SCHEMBL1386176 0.87 NR1H2 (0.71) NR1H2NR1H3PPARGPPARACYP2C9
SCHEMBL1379075 0.84 NR1H2 (0.65) NR1H2NR1H3MAPT
SCHEMBL1382860 0.83 NR1H2 (0.77) NR1H2NR1H3
SCHEMBL1379725 0.81 NR1H2 (0.73) NR1H2NR1H3MAPT
SCHEMBL1382717 0.81 NR1H2 (0.76) NR1H2NR1H3
SCHEMBL1386493 0.80 NR1H2 (0.75) NR1H2NR1H3
SCHEMBL1379781 0.78 NR1H2 (0.68) NR1H2NR1H3PPARAMAPT
SCHEMBL1383716 0.77 NR1H2 (0.66) NR1H2NR1H3MAPT

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-1763502-A1 NOVEL HEXAFLUOROISOPROPANOL DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-03-21 — — EP disclosed
WO-2006000323-A1 NOVEL HEXAFLUOROISOPROPANOL DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-01-05 — — WO disclosed