SCHEMBL4037839

SCHEMBL4037839

CC(C)(Oc1cccc(Sc2ccccc2CBr)c1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.44
PPARA Q07869 5/20 0.44
PTPN7 P35236 1/20 0.43
DUSP3 P51452 1/20 0.43
PTPN12 Q05209 1/20 0.43
PTPN22 Q9Y2R2 1/20 0.43
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
HPGD P15428 1/20 0.38
PPARD Q03181 2/20 0.38
RHEB Q15382 1/20 0.38
LMNA P02545 1/20 0.38
MAP4K4 O95819 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL3484748 0.87 PTGDR2 (0.37) PPARGPPARAMMP2MMP9MMP12
SCHEMBL4033120 0.86 MMP2 (0.49) PPARGPPARAMMP2MMP9MMP12
SCHEMBL4035957 0.81 PPARG (0.48) PPARGPPARAPTPN7DUSP3PTPN12
SCHEMBL4040101 0.77 PPARA (0.48) PPARGPPARAPTPN7DUSP3PTPN12
SCHEMBL4039835 0.75 PPARG (0.46) PPARGPPARAPTPN7DUSP3PTPN12
SCHEMBL3484606 0.74 MMP2 (0.44) PPARGPPARAMMP2MMP9MMP12
SCHEMBL6932107 0.72 MMP2 (0.70) MMP2MMP9MMP12SMN1; SMN2PTGDR2
SCHEMBL3484527 0.71 CHRNA7 (0.53) SMN1; SMN2CYP2C9CYP2C19HPGDLMNA
SCHEMBL9152799 0.70 CYP2C9 (0.57) MMP2MMP9MMP12SMN1; SMN2PTGDR2
SCHEMBL4035511 0.69 PPARG (0.49) 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