SCHEMBL7828149

SCHEMBL7828149

CCOC(=O)C(=Cc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
GLO1 Q04760 1/20 0.49
NPSR1 Q6W5P4 2/20 0.49
LMNA P02545 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
PLIN1 O60240 1/20 0.45
POLB P06746 1/20 0.45
PLIN5 Q00G26 1/20 0.45
ABHD5 Q8WTS1 1/20 0.45
HPGD P15428 3/20 0.44
PSMD14 O00487 1/20 0.44
BLM P54132 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTPN1 P18031 1/20 0.43
GAA P10253 1/20 0.43
FBP1 P09467 1/20 0.42

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
SCHEMBL7817919 0.99 MAPT (0.48) MAPTGLO1NPSR1LMNATDP1
Potassium Ion SCHEMBL7817917 0.99 MAPT (0.48) MAPTGLO1NPSR1LMNATDP1
SCHEMBL7818698 0.91 MAPT (0.53) MAPTGLO1NPSR1LMNATDP1
SCHEMBL7875955 0.89 TDP1 (0.46) MAPTGLO1NPSR1LMNATDP1
SCHEMBL18371948 0.87 MAPT (0.60) MAPTGLO1NPSR1LMNATDP1
SCHEMBL7818630 0.86 GLO1 (0.59) MAPTGLO1NPSR1LMNATDP1
SCHEMBL14492424 0.85 MAPT (0.55) MAPTGLO1NPSR1LMNATDP1
SCHEMBL17049220 0.84 MAPT (0.66) MAPTGLO1NPSR1LMNATDP1
SCHEMBL9835313 0.82 MAPT (0.50) MAPTGLO1NPSR1LMNATDP1
SCHEMBL9733960 0.82 PTGS2 (0.56) MAPTGLO1NPSR1LMNATDP1

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-6329389-B1 HETEROCYCLIC AMINES AND DERIVATIVES, SOMATOSTATIN AND ANTIDIABETIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-12-11 US disclosed
EP-1070054-A1 AMINE COMPOUNDS, THEIR PRODUCTION AND THEIR USE AS SOMATOSTATIN RECEPTOR ANTAGONISTS OR AGONISTS Takeda Chemical Industries, Ltd. (JP) 2001-01-24 EP disclosed
WO-1999052875-A1 AMINE COMPOUNDS, THEIR PRODUCTION AND THEIR USE AS SOMATOSTATIN RECEPTOR ANTAGONISTS OR AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-21 WO disclosed