SCHEMBL4036195

SCHEMBL4036195

CC(C)(Oc1ccccc1C(CBr)c1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MGLL Q99685 1/20 0.41
ADRB3 P13945 3/20 0.40
PPARG P37231 8/20 0.38
PPARA Q07869 6/20 0.38
PPARD Q03181 2/20 0.38
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
CNR1 P21554 1/20 0.36
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL3484031 0.85 FBP1 (0.47) PPARGPPARACYP1A2CYP3A4MAPT
SCHEMBL4036198 0.79 PPARG (0.54) ALDH1A1KDM4EADRB3PPARGPPARA
SCHEMBL4035511 0.76 PPARG (0.49) ALDH1A1KDM4EHSD17B10ADRB3PPARG
SCHEMBL21939443 0.72 L3MBTL1 (0.59) ALDH1A1KDM4EHSD17B10PPARGPPARA
SCHEMBL4033438 0.72 KDM4E (0.53) ALDH1A1KDM4EHSD17B10MGLLPPARG
SCHEMBL4037904 0.72 KDM4E (0.60) ALDH1A1KDM4EHSD17B10MGLLPPARG
SCHEMBL29224676 0.70 KDM4E (0.58) ALDH1A1KDM4EHSD17B10MGLLPPARG
SCHEMBL1045767 0.70 KDM4E (0.62) ALDH1A1KDM4EHSD17B10PPARGPPARA
SCHEMBL28821563 0.70 ALDH1A1 (0.62) ALDH1A1KDM4EHSD17B10PPARGPPARA
SCHEMBL6989689 0.70 HSD17B10 (0.62) ALDH1A1KDM4EHSD17B10PPARGPPARA

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