SCHEMBL3399129

SCHEMBL3399129

O=CCc1ccc(OC(F)F)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.38
PPARA Q07869 4/20 0.38
CACNA1H O95180 5/20 0.38
PDE4A P27815 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
DRD1 P21728 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
PPARD Q03181 1/20 0.33
PDE2A O00408 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL5184347 0.86 PDE4A (0.43) PPARGPPARAPDE4APDE4BPDE4C
SCHEMBL1567905 0.85 PPARG (0.36) PPARGPPARACACNA1HPDE4APDE4B
SCHEMBL12474333 0.85 CACNA1H (0.37) PPARGPPARACACNA1HPDE4APDE4B
SCHEMBL17423572 0.85 CSNK2A1 (0.41) PPARGPPARA
SCHEMBL5184176 0.81 ALOX15 (0.39) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL3397681 0.81 ALDH1A1 (0.42) PPARGPPARAPDE4APDE4BPDE4C
SCHEMBL24852156 0.79 PPARG (0.40) PPARGPPARACACNA1HPDE4APDE4B
SCHEMBL2440368 0.79 CSNK2A1 (0.45) PPARGPPARACACNA1HPDE4APDE4B
SCHEMBL12967349 0.79 CACNA1H (0.39) PPARGPPARACACNA1H
SCHEMBL16953563 0.79 PDE4A (0.44) PPARGPPARACACNA1HPDE4APDE4B

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-2245019-A1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-11-03 EP disclosed
WO-2009103626-A1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 WO disclosed