SCHEMBL14744396

SCHEMBL14744396

O=C(O)CCCCC(=O)Oc1ccc([N+](=O)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.58
CTNNB1 P35222 1/20 0.58
TDP1 Q9NUW8 1/20 0.47
EGFR P00533 2/20 0.44
ERBB2 P04626 2/20 0.44
PTPN7 P35236 1/20 0.44
PTPN12 Q05209 1/20 0.44
PTPN22 Q9Y2R2 1/20 0.44
GAA P10253 1/20 0.43
MGLL Q99685 2/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MMP14 P50281 1/20 0.43
ALDH1A1 P00352 2/20 0.41
PKM P14618 1/20 0.41
MEN1 O00255 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL9657255 0.92 BCL9 (0.68) BCL9CTNNB1TDP1EGFRERBB2
SCHEMBL531330 0.90 BCL9 (0.66) BCL9CTNNB1TDP1EGFRERBB2
SCHEMBL31758269 0.90 BCL9 (0.66) BCL9CTNNB1TDP1EGFRERBB2
SCHEMBL8643816 0.89 BCL9 (0.68) BCL9CTNNB1TDP1EGFRERBB2
SCHEMBL531007 0.86 BCL9 (0.76) BCL9CTNNB1TDP1EGFRERBB2
SCHEMBL570540 0.84 BCL9 (0.73) BCL9CTNNB1TDP1EGFRERBB2
SCHEMBL531155 0.84 BCL9 (0.73) BCL9CTNNB1TDP1EGFRERBB2
SCHEMBL530771 0.84 BCL9 (0.73) BCL9CTNNB1TDP1EGFRERBB2
SCHEMBL7079988 0.84 BCL9 (0.73) BCL9CTNNB1TDP1EGFRERBB2
Octanoic Acid SCHEMBL30504819 0.84 BCL9 (0.70) BCL9CTNNB1TDP1GAAMGLL

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
US-20140249051-A1 METHOD AND SYSTEM FOR ABO ANTIBODY DETECTION AND CHARACTERIZATION THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2014-09-04 US disclosed
EP-2751574-A1 METHOD AND SYSTEM FOR ABO ANTIBODY DETECTION AND CHARACTERIZATION The Governors of the University of Alberta (CA) 2014-07-09 EP disclosed
WO-2013029181-A1 METHOD AND SYSTEM FOR ABO ANTIBODY DETECTION AND CHARACTERIZATION THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2013-03-07 WO disclosed