SCHEMBL4036198

SCHEMBL4036198

CC(C)(Oc1ccc(C(CBr)c2ccccc2)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.54
PPARA Q07869 10/20 0.54
ADRB3 P13945 3/20 0.53
CYP2C19 P33261 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPT P10636 1/20 0.53
PPARD Q03181 3/20 0.48
CYP2C9 P11712 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47
FABP2 P12104 1/20 0.47
SLC22A12 Q96S37 1/20 0.47

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
SCHEMBL4035511 0.87 PPARG (0.49) PPARGPPARAADRB3CYP2C19MEN1
SCHEMBL3485038 0.85 PPARA (0.58) PPARGPPARAADRB3CYP1A2CYP3A4
SCHEMBL4036195 0.79 ALDH1A1 (0.49) PPARGPPARAADRB3CYP2C19MEN1
SCHEMBL5322664 0.79 PPARG (0.48) PPARGPPARAADRB3CYP2C19MEN1
SCHEMBL11748415 0.79 PPARG (0.45) PPARGPPARAADRB3CYP2C19MEN1
SCHEMBL247466 0.78 PPARA (0.68) PPARGPPARACYP2C19MEN1KMT2A
SCHEMBL12777729 0.77 PPARA (0.68) PPARGPPARAADRB3CYP2C19MEN1
SCHEMBL7032523 0.76 PPARA (0.66) PPARGPPARACYP2C19MEN1KMT2A
Hydrochloric Acid SCHEMBL8889149 0.76 PPARA (0.66) PPARGPPARACYP2C19MEN1KMT2A
Ammonia Solution, Strong SCHEMBL7026339 0.76 PPARA (0.66) PPARGPPARACYP2C19MEN1KMT2A

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