SCHEMBL3405682

SCHEMBL3405682

CC(CCO[Si](C)(C)C(C)(C)C)OCc1ccc(C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.41
RXRB P28702 9/20 0.41
NR4A2 P43354 3/20 0.41
RXRG P48443 4/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
NR1H4 Q96RI1 1/20 0.36
TP53 P04637 1/20 0.35

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
SCHEMBL31411073 0.84 BTN3A1 (0.35) ALDH1A1MAPK1
SCHEMBL3722014 0.81 RXRA (0.51) RXRARXRBNR4A2RXRGALDH1A1
SCHEMBL1628200 0.80 TBXAS1 (0.41) RXRARXRBNR4A2RXRGALDH1A1
SCHEMBL4741957 0.78 ALDH1A1 (0.44) RXRARXRBNR4A2RXRGALDH1A1
SCHEMBL27032528 0.77 DUT (0.37) ALDH1A1MAPK1
SCHEMBL27131617 0.77 DUT (0.37) ALDH1A1MAPK1
SCHEMBL4197217 0.73 ALDH1A1 (0.39) ALDH1A1
SCHEMBL1749434 0.73 ALDH1A1 (0.53) RXRARXRBNR4A2RXRGALDH1A1
SCHEMBL20427410 0.72 RARB (0.52) RXRARXRBALDH1A1TP53
SCHEMBL6937584 0.72 HTT (0.40) ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257315-A2 CONTRAST AGENTS FOR APPLICATIONS INCLUDING PERFUSION IMAGING Lantheus Medical Imaging, Inc. (US) 2010-12-08 EP disclosed
WO-2009110984-A2 CONTRAST AGENTS FOR APPLICATIONS INCLUDING PERFUSION IMAGING LANTHEUS MEDICAL IMAGING, INC. (US) 2009-09-11 WO disclosed
EP-1713512-A4 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING BRISTOL MYERS SQUIBB PHARMA CO (US) 2009-01-07 EP disclosed
EP-1713512-A2 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING Bristol-Myers Squibb Pharma Company (US) 2006-10-25 EP disclosed
WO-2005079391-A2 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-09-01 WO disclosed