SCHEMBL5807356

SCHEMBL5807356

CCOC(=O)C(OCC)c1ccc(OCCn2c(C)nc3ccccc3c2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
UBE2N P61088 1/20 0.48
ATM Q13315 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GAA P10253 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
EIF4EBP1 Q13541 1/20 0.45
GFER P55789 1/20 0.45
HRH3 Q9Y5N1 4/20 0.45
KCNH2 Q12809 3/20 0.45
ADRA1A P35348 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL5804256 0.86 UBE2N (0.52) TSHRUBE2NMEN1KMT2AGAA
SCHEMBL6555846 0.85 PPARA (0.60) TSHRUBE2NMEN1KMT2AGAA
SCHEMBL7753447 0.85 TSHR (0.48) TSHRUBE2NATMMEN1KMT2A
SCHEMBL6555852 0.84 UBE2N (0.48) TSHRUBE2NMEN1KMT2AGAA
SCHEMBL5804258 0.83 TSHR (0.47) TSHRUBE2NMEN1KMT2AGAA
SCHEMBL5935688 0.82 GFER (0.49) TSHRUBE2NATMMEN1KMT2A
SCHEMBL6555630 0.82 PPARG (0.69) ADRA1APPARGPPARDPPARA
SCHEMBL6556047 0.80 PPARG (0.52) TSHRUBE2NATMMEN1KMT2A
SCHEMBL5935599 0.78 MEN1 (0.57) TSHRMEN1KMT2AGAAL3MBTL1
SCHEMBL3824049 0.77 TSHR (0.47) TSHRUBE2NATMMEN1KMT2A

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
WO-2006082495-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS RANBAXY LABORATORIES LIMITED (IN) 2006-08-10 WO claimed
WO-2006082495-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS RANBAXY LABORATORIES LIMITED (IN) 2006-08-10 WO disclosed