SCHEMBL4040101

SCHEMBL4040101

CC(C)(Oc1cccc(Oc2ccccc2CBr)c1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.48
PPARD Q03181 6/20 0.48
PPARG P37231 11/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RIPK1 Q13546 1/20 0.44
SLC1A5 Q15758 1/20 0.44
PTPN7 P35236 1/20 0.42
DUSP3 P51452 1/20 0.42
PTPN12 Q05209 1/20 0.42
PTPN22 Q9Y2R2 1/20 0.42
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL4041637 0.88 PPARG (0.54) PPARAPPARDPPARGKDM4EALDH1A1
SCHEMBL3484445 0.86 SLC1A5 (0.40) PPARAPPARDPPARGKDM4ERIPK1
SCHEMBL4036545 0.79 PPARG (0.60) PPARAPPARDPPARGPTPN7DUSP3
SCHEMBL6955048 0.78 SLC6A2 (0.50) ALDH1A1RIPK1
SCHEMBL4037839 0.77 PPARG (0.44) PPARAPPARDPPARGPTPN7DUSP3
SCHEMBL3484675 0.74 RIPK1 (0.41) PPARAPPARGRIPK1SLC1A5CYP2C9
SCHEMBL561362 0.73 HRH1 (0.60) PPARARIPK1
SCHEMBL30054133 0.73 HRH1 (0.60) PPARARIPK1
SCHEMBL7988206 0.73 PPARA (0.55) PPARAPPARDPPARGKDM4EALDH1A1
SCHEMBL4040746 0.72 PPARG (0.55) PPARAPPARDPPARGPTPN7DUSP3

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