SCHEMBL5804256

SCHEMBL5804256

CCCCOC(C(=O)O)c1ccc(OCCn2c(C)nc3ccccc3c2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2N P61088 1/20 0.52
GAA P10253 4/20 0.51
HPGD P15428 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
MAPT P10636 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
TSHR P16473 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
HRH3 Q9Y5N1 5/20 0.48
KCNH2 Q12809 4/20 0.47
ADRA1A P35348 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
RXFP1 Q9HBX9 2/20 0.46

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
SCHEMBL5804258 0.86 TSHR (0.47) UBE2NGAAHPGDSMN1; SMN2CYP2C9
SCHEMBL5807356 0.86 TSHR (0.48) UBE2NGAAHPGDSMN1; SMN2CYP2C9
SCHEMBL6555852 0.81 UBE2N (0.48) UBE2NGAAHPGDSMN1; SMN2CYP2C9
SCHEMBL6555630 0.79 PPARG (0.69) ADRA1A
SCHEMBL7753447 0.78 TSHR (0.48) UBE2NGAAHPGDSMN1; SMN2CYP2C9
SCHEMBL5935593 0.78 MEN1 (0.55) GAAHPGDSMN1; SMN2CYP2C9CYP2C19
SCHEMBL5935599 0.77 MEN1 (0.57) GAAHPGDSMN1; SMN2CYP2C9CYP2C19
SCHEMBL6555846 0.77 PPARA (0.60) UBE2NGAAHPGDSMN1; SMN2CYP2C9
SCHEMBL6555781 0.76 PPARG (0.54) GAAHPGDSMN1; SMN2CYP2C9CYP2C19
SCHEMBL5935688 0.76 GFER (0.49) UBE2NGAAHPGDSMN1; SMN2CYP2C9

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