SCHEMBL4035511

SCHEMBL4035511

CC(C)(Oc1cccc(C(CBr)c2ccccc2)c1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.49
PPARA Q07869 7/20 0.49
PTPN7 P35236 1/20 0.45
DUSP3 P51452 1/20 0.45
PTPN12 Q05209 1/20 0.45
PTPN22 Q9Y2R2 1/20 0.45
ADRB3 P13945 3/20 0.44
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
CYP2C19 P33261 2/20 0.42
PPARD Q03181 2/20 0.42
CYP2C9 P11712 1/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
PTGS1 P23219 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL4036198 0.87 PPARG (0.54) PPARGPPARAADRB3CYP2C19PPARD
SCHEMBL3483713 0.86 PPARA (0.53) PPARGPPARAMTNR1AMTNR1BCYP1A2
SCHEMBL17188080 0.81 PPARA (0.52) PPARGPPARAPTPN7DUSP3PTPN12
SCHEMBL22227898 0.81 PPARA (0.51) PPARGPPARAPTPN7DUSP3PTPN12
SCHEMBL5325775 0.78 PPARA (0.49) PPARGPPARAPTPN7DUSP3PTPN12
SCHEMBL5326177 0.78 PPARA (0.49) PPARGPPARAPTPN7DUSP3PTPN12
SCHEMBL4036195 0.76 ALDH1A1 (0.49) PPARGPPARAADRB3CYP2C19PPARD
SCHEMBL11385784 0.76 PPARA (0.44) PPARGPPARAPTPN7DUSP3PTPN12
SCHEMBL247466 0.75 PPARA (0.68) PPARGPPARAPTPN7DUSP3PTPN12
SCHEMBL4034371 0.74 PPARA (0.69) PPARGPPARAPTPN7DUSP3PTPN12

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-2049107-A2 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATION AND USES Genfit (FR) 2009-04-22 EP disclosed
WO-2008012470-A2 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATION AND USES GENFIT (FR) 2008-01-31 WO disclosed