SCHEMBL1534432

SCHEMBL1534432

CC(C)(C)ON(C=O)c1ccccc1B(O)O

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.34
ORAI1 Q96D31 1/20 0.30
ORAI2 Q96SN7 1/20 0.30
ORAI3 Q9BRQ5 1/20 0.30

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
SCHEMBL2831679 0.77 CHEK1 (0.31)
SCHEMBL6856498 0.76 LMNA (0.40)
SCHEMBL30849389 0.72 ENPP2 (0.36) ENPP2ORAI1ORAI2ORAI3
SCHEMBL10382826 0.72 MEN1 (0.35)
SCHEMBL7261316 0.71 ELANE (0.35)
SCHEMBL476880 0.70 ALDH1A1 (0.34)
SCHEMBL12485977 0.69 CCNB2 (0.44)
SCHEMBL17509871 0.69
SCHEMBL7429745 0.68 NFE2L2 (0.36)
SCHEMBL29956095 0.68 PAX8 (0.40) ENPP2

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-2459216-B1 IMMUNOGENIC COMPOSITIONS INCLUDING TLR ACTIVITY MODULATORS NOVARTIS AG (CH) 2013-10-30 EP disclosed
EP-2459216-A2 IMMUNOGENIC COMPOSITIONS INCLUDING TLR ACTIVITY MODULATORS Novartis AG (CH) 2012-06-06 EP disclosed
WO-2011027222-A2 IMMUNOGENIC COMPOSITIONS INCLUDING TLR ACTIVITY MODULATORS NOVARTIS AG (CH) 2011-03-10 WO disclosed