SCHEMBL4033371

SCHEMBL4033371

CC(C)(CCCOc1cccc(-c2ccc(CBr)cc2)c1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.54
SLC13A5 Q86YT5 3/20 0.52
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
LTB4R Q15722 4/20 0.46
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
FFAR4 Q5NUL3 3/20 0.44
FFAR1 O14842 2/20 0.44

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
SCHEMBL28137761 0.89 PPARA (0.68) PPARASLC13A5HDAC1HDAC2LTB4R
SCHEMBL3484666 0.88 SLC13A5 (0.45) PPARASLC13A5HDAC1HDAC2LTB4R
SCHEMBL4037893 0.87 PPARA (0.62) PPARA
SCHEMBL4033084 0.86 SLC13A5 (0.48) SLC13A5RXRARXRBFFAR1
SCHEMBL4035381 0.86 PPARA (0.60) PPARASLC13A5HDAC1HDAC2LTB4R
SCHEMBL11088495 0.82 PPARA (0.72) PPARALTB4R
SCHEMBL4035971 0.79 MAP4K4 (0.53) PPARASLC13A5RXRARXRB
SCHEMBL11096283 0.78 PPARA (0.66) PPARALTB4R
SCHEMBL11094600 0.77 PPARA (0.74) PPARA
SCHEMBL3483707 0.77 RXRA (0.43) SLC13A5RXRARXRBFFAR1

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