SCHEMBL5804258

SCHEMBL5804258

CCC(C)OC(C(=O)O)c1ccc(OCCn2c(C)nc3ccccc3c2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
UBE2N P61088 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
EIF4EBP1 Q13541 1/20 0.44
GFER P55789 1/20 0.44
MAPT P10636 3/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HRH3 Q9Y5N1 4/20 0.43
KCNH2 Q12809 3/20 0.42
ADRA1A P35348 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KDM4E B2RXH2 2/20 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
SCHEMBL5804256 0.86 UBE2N (0.52) TSHRUBE2NMEN1KMT2AEIF4EBP1
SCHEMBL6555912 0.85 PPARG (0.53) TSHRUBE2NMEN1KMT2AEIF4EBP1
SCHEMBL5807356 0.83 TSHR (0.48) TSHRUBE2NMEN1KMT2AEIF4EBP1
SCHEMBL6555852 0.81 UBE2N (0.48) TSHRUBE2NMEN1KMT2AEIF4EBP1
SCHEMBL7753447 0.77 TSHR (0.48) TSHRUBE2NMEN1KMT2AEIF4EBP1
SCHEMBL6555630 0.77 PPARG (0.69) ADRA1A
SCHEMBL5935599 0.77 MEN1 (0.57) TSHRMEN1KMT2AGFERMAPT
SCHEMBL6555819 0.76 PPARG (0.52) MAPTHRH3KCNH2
SCHEMBL6555781 0.76 PPARG (0.54) TSHRMEN1KMT2AEIF4EBP1GFER
SCHEMBL5935688 0.75 GFER (0.49) TSHRUBE2NMEN1KMT2AEIF4EBP1

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 1 patent. 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 disclosed