SCHEMBL4035654

SCHEMBL4035654

CC(C)(Oc1ccccc1-c1ccc(CBr)cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.48
PPARA Q07869 6/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
PPARD Q03181 1/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SLC13A5 Q86YT5 1/20 0.45
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
LMNA P02545 3/20 0.41
FFAR4 Q5NUL3 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL3484819 0.84 FBP1 (0.47) PPARGPPARAALDH1A1SLC13A5LMNA
SCHEMBL4037713 0.84 ALDH1A1 (0.54) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL4037829 0.83 PTGDR2 (0.45) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL4033755 0.81 KDM4E (0.48) PPARGPPARAPPARDALDH1A1KDM4E
SCHEMBL4035649 0.78 PPARA (0.49) PPARGPPARACYP2C9ALDH1A1KDM4E
SCHEMBL4033331 0.78 PPARA (0.66) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL6446385 0.78 RXRA (0.47) PPARGPPARAALDH1A1KDM4ESLC13A5
SCHEMBL6448663 0.77 SLC13A5 (0.39) PPARGPPARAALDH1A1SLC13A5RXRA
SCHEMBL7795580 0.77 PTGS2 (0.48) CYP2C9ALDH1A1KDM4EHSD17B10SLC13A5
SCHEMBL4034269 0.76 LTB4R (0.48) PPARAPPARDALDH1A1KDM4E

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