SCHEMBL7488389

SCHEMBL7488389

CCCCOC(=O)NC(CCCC)C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.56
MAPT P10636 4/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
ALOX12 P18054 1/20 0.50
BCL9 O00512 1/20 0.49
CTNNB1 P35222 1/20 0.49
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
TGM2 P21980 1/20 0.42
PDF Q9HBH1 1/20 0.42
GAA P10253 1/20 0.42
SSTR3 P32745 1/20 0.42
ACHE P22303 2/20 0.41
SLC6A4 P31645 2/20 0.41
HTR2A P28223 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
SCHEMBL18095168 0.90 MGLL (0.51) MGLLMAPTKMT2AMEN1LMNA
SCHEMBL22137004 0.88 MGLL (0.53) MGLLMAPTBCL9CTNNB1CRHBP
SCHEMBL26226851 0.88 MGLL (0.53) MGLLMAPTBCL9CTNNB1CRHBP
SCHEMBL7162407 0.86 MGLL (0.51) MGLLMAPTKMT2AMEN1LMNA
SCHEMBL7162403 0.86 MGLL (0.51) MGLLMAPTKMT2AMEN1LMNA
SCHEMBL9021142 0.84 MGLL (0.51) MGLLMAPTKMT2AMEN1LMNA
SCHEMBL3398263 0.83 MGLL (0.62) MGLLMAPTKMT2AMEN1LMNA
SCHEMBL18071571 0.82 MGLL (0.55) MGLLMAPTKMT2AMEN1LMNA
SCHEMBL16558035 0.82 MGLL (0.57) MGLLMAPTKMT2AMEN1LMNA
SCHEMBL18078263 0.80 MGLL (0.67) MGLLMAPTKMT2AMEN1LMNA

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-1165532-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2002-01-02 EP disclosed
WO-2000058294-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-10-05 WO disclosed