SCHEMBL9652014

SCHEMBL9652014

CCCC(C(=O)O[PH](=O)OC(=O)C(CCC)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
BCL9 O00512 1/20 0.43
CTNNB1 P35222 1/20 0.43
SLC6A4 P31645 3/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ALDH1A1 P00352 5/20 0.41
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.39
ACHE P22303 2/20 0.39
MGLL Q99685 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL1768101 0.85 MAPT (0.53) MAPTKDM4ELMNABCL9CTNNB1
SCHEMBL1527805 0.80 AKR1C3 (0.50) MAPTKDM4ELMNABCL9CTNNB1
SCHEMBL10379792 0.79 ALDH1A1 (0.47) MAPTKDM4ELMNABCL9CTNNB1
SCHEMBL7732581 0.79 ALDH1A1 (0.46) MAPTKDM4ELMNABCL9CTNNB1
SCHEMBL7723399 0.79 ALDH1A1 (0.46) MAPTKDM4ELMNABCL9CTNNB1
SCHEMBL10378527 0.77 SLC6A3 (0.46) MAPTKDM4ELMNABCL9CTNNB1
SCHEMBL1768015 0.77 MAPT (0.54) MAPTKDM4ELMNABCL9CTNNB1
SCHEMBL8370315 0.77 MAPT (0.45) MAPTKDM4ELMNABCL9CTNNB1
SCHEMBL10379543 0.76 POLB (0.46) SLC6A4SLC6A2SLC6A3ALDH1A1NPC1
SCHEMBL11577377 0.76 MAPT (0.49) MAPTKDM4ELMNABCL9CTNNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0494985-A1 A PROCESS FOR PREPARING PEROXYCARBOXYLIC ACIDS NOVO NORDISK A/S (DK) 1992-07-22 EP disclosed
WO-1991006574-A1 A PROCESS FOR PREPARING PEROXYCARBOXYLIC ACIDS NOVO NORDISK A/S (DK) 1991-05-16 WO disclosed