SCHEMBL3815447

SCHEMBL3815447

COc1cc(C(C=O)c2ccc3c(c2)C(O)CC(C)(C)O3)cc(OC)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.39
TLR3 O15455 1/20 0.39
COXFA4 O00483 1/20 0.37
HIF1A Q16665 3/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33
TUBB4A P04350 2/20 0.33
TUBB P07437 2/20 0.33
TUBA3C P0DPH7 2/20 0.33
TUBA1B P68363 2/20 0.33
TUBA4A P68366 2/20 0.33
TUBB4B P68371 2/20 0.33
TUBB3 Q13509 2/20 0.33
TUBB2A Q13885 2/20 0.33
TUBB8 Q3ZCM7 2/20 0.33
TUBA3E Q6PEY2 2/20 0.33
TUBA1A Q71U36 2/20 0.33

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
SCHEMBL3822007 0.78 COXFA4 (0.52) HSP90AA1COXFA4HIF1AMAPT
SCHEMBL3455801 0.74 HSP90AA1 (0.57) HSP90AA1TLR3COXFA4HIF1AALDH1A1
SCHEMBL2353551 0.74 TLR3 (0.41) TLR3HIF1AMEN1KMT2AALDH1A1
SCHEMBL2353554 0.74 TLR3 (0.41) TLR3HIF1AMEN1KMT2AALDH1A1
SCHEMBL3456261 0.72 COXFA4 (0.61) HSP90AA1TLR3COXFA4KMT2AALDH1A1
SCHEMBL7608955 0.67 MAPT (0.46) TLR3HIF1AMEN1KMT2AALDH1A1
SCHEMBL13090968 0.67 KMT2A (0.46) TLR3MEN1KMT2AMAPT
SCHEMBL9141913 0.66 TLR3 (0.43) TLR3MEN1KMT2AALDH1A1
SCHEMBL3319434 0.66 KCNE1 (0.44) TLR3MEN1KMT2A
SCHEMBL3319440 0.66 KCNE1 (0.44) TLR3MEN1KMT2A

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