SCHEMBL3848201

SCHEMBL3848201

C=COc1cc(OC)c(OCc2ccccc2)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.46
MAOB P27338 1/20 0.46
SLC6A5 Q9Y345 3/20 0.44
HTR1A P08908 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
PPARG P37231 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43

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
SCHEMBL27998563 0.84 MAOB (0.59) BCHEMAOBHTR1AADRA1DADRA1A
SCHEMBL27997996 0.81 HDAC8 (0.48) BCHESLC6A5ALDH1A1SMN1; SMN2NPSR1
SCHEMBL19490990 0.81 ALDH1A1 (0.53) BCHEPPARGMEN1ALDH1A1MAPK1
SCHEMBL8862695 0.80 HTR1A (0.49) BCHEMAOBSLC6A5HTR1AADRA1D
SCHEMBL5203822 0.79 GAA (0.48) BCHEMAOBSLC6A5HTR1AADRA1D
SCHEMBL28208251 0.79 HDAC8 (0.49) SMN1; SMN2NPSR1
SCHEMBL12431888 0.78 HTR1A (0.50) BCHEMAOBHTR1AADRA1DADRA1A
SCHEMBL10925538 0.78 HTR1A (0.50) BCHEMAOBHTR1AADRA1DADRA1A
SCHEMBL5234365 0.76 HTR1A (0.49) BCHEMAOBHTR1AADRA1DADRA1A
SCHEMBL5237170 0.76 APP (0.56) BCHEMAOBHTR1AADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740225-A4 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING BRISTOL MYERS SQUIBB CO (US) 2009-08-19 EP disclosed
EP-1740225-A2 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING Bristol-Myers Squibb Company (US) 2007-01-10 EP disclosed
WO-2005105159-A2 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-10 WO disclosed