SCHEMBL4035957

SCHEMBL4035957

CC(C)(Oc1cccc(Sc2ccc(CBr)cc2)c1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.48
PPARA Q07869 11/20 0.48
PPARD Q03181 3/20 0.43
PTPN7 P35236 1/20 0.41
DUSP3 P51452 1/20 0.41
PTPN12 Q05209 1/20 0.41
PTPN22 Q9Y2R2 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
MAP4K4 O95819 1/20 0.38

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
SCHEMBL3483947 0.87 PPARG (0.38) PPARGPPARAPPARDMTNR1AMTNR1B
SCHEMBL4033117 0.87 PPARA (0.60) PPARGPPARAPPARDMEN1CYP1A2
SCHEMBL4039835 0.84 PPARG (0.46) PPARGPPARAPPARDPTPN7DUSP3
SCHEMBL4036545 0.81 PPARG (0.60) PPARGPPARAPPARDPTPN7DUSP3
SCHEMBL4035509 0.81 PPARG (0.57) PPARGPPARAPPARD
SCHEMBL4035971 0.81 MAP4K4 (0.53) PPARGPPARAPPARDMEN1MAPT
SCHEMBL4037839 0.81 PPARG (0.44) PPARGPPARAPPARDPTPN7DUSP3
SCHEMBL11738947 0.78 PPARG (0.72) PPARGPPARAPPARDMEN1CYP1A2
SCHEMBL4036404 0.74 PPARG (0.66) PPARGPPARAPPARDMEN1CYP1A2
SCHEMBL4033331 0.74 PPARA (0.66) PPARGPPARAPPARDMEN1CYP1A2

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