SCHEMBL5804253

SCHEMBL5804253

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2N P61088 1/20 0.49
TSHR P16473 1/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
EIF4EBP1 Q13541 1/20 0.45
GFER P55789 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL6555859 0.83 GFER (0.50) UBE2NTSHRMAPTMEN1KMT2A
SCHEMBL3824049 0.79 TSHR (0.47) UBE2NTSHRLMNAHTTNPSR1
SCHEMBL7753447 0.78 TSHR (0.48) UBE2NTSHRMAPTMEN1KMT2A
SCHEMBL3829478 0.78 TSHR (0.50) UBE2NTSHRLMNAHTTNPSR1
SCHEMBL5935599 0.77 MEN1 (0.57) TSHRLMNAMAPTMEN1KMT2A
SCHEMBL5807356 0.76 TSHR (0.48) UBE2NTSHRMAPTMEN1KMT2A
SCHEMBL6555630 0.76 PPARG (0.69) ADRA1A
SCHEMBL5935688 0.76 GFER (0.49) UBE2NTSHRMAPTMEN1KMT2A
SCHEMBL5935593 0.75 MEN1 (0.55) TSHRLMNAMAPTMEN1KMT2A
SCHEMBL5803860 0.75 MEN1 (0.57) TSHRLMNAHTTMAPTMEN1

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