SCHEMBL4033331

SCHEMBL4033331

CC(C)(Oc1ccc(-c2ccc(CBr)cc2)cc1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.66
PPARG P37231 10/20 0.66
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
MAPT P10636 1/20 0.56
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
TSHR P16473 1/20 0.52
PPARD Q03181 5/20 0.52
CYP2C9 P11712 1/20 0.50
TBXAS1 P24557 1/20 0.50

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
SCHEMBL11738947 0.95 PPARG (0.72) PPARAPPARGMEN1KMT2ACYP2C19
SCHEMBL4036404 0.90 PPARG (0.66) PPARAPPARGMEN1KMT2ACYP2C19
SCHEMBL4036197 0.90 PPARG (0.66) PPARAPPARGMEN1KMT2ACYP2C19
SCHEMBL4033117 0.86 PPARA (0.60) PPARAPPARGMEN1KMT2ACYP2C19
SCHEMBL4035971 0.86 MAP4K4 (0.53) PPARAPPARGMEN1KMT2ACYP2C19
SCHEMBL4038642 0.83 PPARA (0.54) PPARAPPARGMEN1KMT2ACYP2C19
SCHEMBL4042833 0.82 PPARA (0.73) PPARAPPARGMEN1KMT2ACYP2C19
SCHEMBL3483913 0.82 PPARA (0.62) PPARAPPARGCYP1A2CYP3A4ALDH1A1
SCHEMBL9416379 0.81 PPARA (0.65) PPARAPPARGMEN1KMT2ACYP2C19
SCHEMBL4036545 0.80 PPARG (0.60) PPARAPPARGMEN1KMT2ACYP2C19

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