Beclobrate

Beclobrate

SCHEMBL3950803

CCOC(=O)C(C)(CC)Oc1ccc(Cc2ccc(Cl)cc2)cc1.CCOC(=O)C(C)(CC)Oc1ccc(Cc2ccc(Cl)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 1.00
PPARA Q07869 7/20 0.63
CYP1A2 P05177 3/20 0.63
CYP3A4 P08684 3/20 0.63
ABCB11 O95342 2/20 0.63
TSHR P16473 2/20 0.63
HTR2A P28223 2/20 0.63
PMP22 Q01453 2/20 0.63
PPARG P37231 5/20 0.49
ALDH1A1 P00352 3/20 0.47
MAPT P10636 4/20 0.44
MEN1 O00255 2/20 0.44
CYP2C19 P33261 2/20 0.44
KMT2A Q03164 2/20 0.44
ELANE P08246 2/20 0.44
CYP2D6 P10635 1/20 0.44
FABP2 P12104 2/20 0.43
SLC22A12 Q96S37 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 4/20 0.42

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
Beclobrate SCHEMBL49779 1.00 OPRK1 (1.00) OPRK1PPARACYP1A2CYP3A4ABCB11
SCHEMBL1935420 0.93 OPRK1 (0.86) OPRK1PPARACYP1A2CYP3A4ABCB11
SCHEMBL11071767 0.90 OPRK1 (0.81) OPRK1PPARACYP1A2CYP3A4ABCB11
SCHEMBL11063131 0.90 OPRK1 (0.81) OPRK1PPARACYP1A2CYP3A4ABCB11
SCHEMBL11070815 0.88 OPRK1 (0.79) OPRK1PPARACYP1A2CYP3A4ABCB11
SCHEMBL11470655 0.88 OPRK1 (0.79) OPRK1PPARACYP1A2CYP3A4ABCB11
SCHEMBL11068228 0.88 OPRK1 (0.78) OPRK1PPARACYP1A2CYP3A4ABCB11
SCHEMBL11072228 0.88 OPRK1 (0.78) OPRK1PPARACYP1A2CYP3A4ABCB11
SCHEMBL5997445 0.88 OPRK1 (0.78) OPRK1PPARACYP1A2CYP3A4ABCB11
SCHEMBL11074765 0.87 OPRK1 (0.76) OPRK1PPARACYP1A2CYP3A4ABCB11

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009033078-A2 COMPOSITIONS AND METHODS FOR CONTROLLING CHOLESTEROL LEVELS TAWAKOL RAIF (US) 2009-03-12 WO disclosed
EP-1684704-A2 COMPOSITIONS AND METHODS FOR INCREASING HDL AND HDL-2B LEVELS Tawakol, Raif M. (US) 2006-08-02 EP disclosed
WO-2005041878-A2 COMPOSITIONS AND METHODS FOR INCREASING HDL AND HDL-2B LEVELS TAWAKOL RAIF M D (US) 2005-05-12 WO disclosed
WO-2000069445-A1 COMBINATION THERAPY FOR TREATING HYPERCHOLESTEROLEMIA GELTEX PHARMACEUTICALS, INC. (US) 2000-11-23 WO disclosed