SCHEMBL4038642

SCHEMBL4038642

CC(C)(Oc1ccc(Br)c(-c2ccc(CBr)cc2)c1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.54
PPARG P37231 9/20 0.54
PPARD Q03181 4/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 1/20 0.45
MAP4K4 O95819 2/20 0.44
PDE5A O76074 1/20 0.44
KCNH2 Q12809 1/20 0.44
MINK1 Q8N4C8 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 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
SLC22A12 Q96S37 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 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
SCHEMBL3483751 0.85 FBP1 (0.52) PPARAPPARGCYP1A2CYP3A4TSHR
SCHEMBL4033331 0.83 PPARA (0.66) PPARAPPARGPPARDCYP2C19CYP2C9
SCHEMBL11738947 0.82 PPARG (0.72) PPARAPPARGPPARDCYP2C19MEN1
SCHEMBL4035971 0.79 MAP4K4 (0.53) PPARAPPARGPPARDCYP2C19CYP2C9
SCHEMBL4036404 0.78 PPARG (0.66) PPARAPPARGPPARDCYP2C19MEN1
SCHEMBL4036197 0.78 PPARG (0.66) PPARAPPARGPPARDCYP2C19MEN1
SCHEMBL4037829 0.77 PTGDR2 (0.45) PPARAPPARGPPARDCYP2C19CYP2C9
SCHEMBL4036545 0.76 PPARG (0.60) PPARAPPARGPPARDCYP2C19MEN1
SCHEMBL4038651 0.75 MMP2 (0.38) MAP4K4
SCHEMBL4035654 0.75 PPARG (0.48) PPARAPPARGPPARDCYP2C19CYP2C9

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 3 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
WO-2008012470-A2 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATION AND USES GENFIT (FR) 2008-01-31 WO disclosed