SCHEMBL4037829

SCHEMBL4037829

CC(C)(Oc1ccc(Br)cc1-c1ccc(CBr)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.45
PPARA Q07869 16/20 0.43
PPARG P37231 10/20 0.43
PPARD Q03181 6/20 0.40
CYP2C9 P11712 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.37
PDE5A O76074 1/20 0.37
MAP4K4 O95819 1/20 0.37
KCNH2 Q12809 1/20 0.37
MINK1 Q8N4C8 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
SCHEMBL3483926 0.85 FBP1 (0.41) PTGDR2PPARAPPARGCYP1A2
SCHEMBL4035654 0.83 PPARG (0.48) PPARAPPARGPPARDCYP2C9CYP2C19
SCHEMBL4038642 0.77 PPARA (0.54) PPARAPPARGPPARDCYP2C9CYP1A2
SCHEMBL4033331 0.75 PPARA (0.66) PPARAPPARGPPARDCYP2C9CYP1A2
SCHEMBL11738947 0.73 PPARG (0.72) PPARAPPARGPPARDCYP1A2CYP2C19
SCHEMBL6701987 0.72 KDM4E (0.48) PTGDR2PPARAPPARGPPARDCYP2C9
SCHEMBL233843 0.72 PPARA (0.47) PTGDR2PPARAPPARGPPARDCYP1A2
SCHEMBL20014777 0.72 PTGDR2 (0.43) PTGDR2PPARAPPARGCYP2C9CYP1A2
SCHEMBL4035971 0.71 MAP4K4 (0.53) PPARAPPARGPPARDCYP2C9CYP2C19
SCHEMBL4033755 0.69 KDM4E (0.48) PPARAPPARGPPARD

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