SCHEMBL5962211

SCHEMBL5962211

CC(=O)OC(C#[N+]N(Cc1ccccc1)Cc1ccccc1)CCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.42
KMT2A Q03164 6/20 0.38
MEN1 O00255 5/20 0.38
TSHR P16473 1/20 0.37
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.36
ALOX5 P09917 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
HTT P42858 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL6367346 0.87 SMN1; SMN2 (0.41) KMT2AMEN1TSHRHTTSMN1; SMN2
SCHEMBL7693931 0.76 MMP12 (0.49) MMP12KMT2AMEN1TSHRALDH1A1
SCHEMBL817744 0.76 MMP12 (0.49) MMP12KMT2AMEN1TSHRALDH1A1
SCHEMBL12808706 0.76 MMP12 (0.49) MMP12KMT2AMEN1TSHRALDH1A1
SCHEMBL7693929 0.76 MMP12 (0.49) MMP12KMT2AMEN1TSHRALDH1A1
SCHEMBL8202589 0.75 ANPEP (0.36) KMT2AMEN1ALDH1A1ALOX5HPGD
SCHEMBL7279889 0.71 MMP12 (0.68) MMP12KMT2AMEN1TSHRALDH1A1
SCHEMBL5962212 0.70 SMN1; SMN2 (0.45) MMP12KMT2AMEN1TSHRALDH1A1
SCHEMBL2939724 0.70 MMP12 (0.54) MMP12KMT2AMEN1TSHRALDH1A1
SCHEMBL1532473 0.70 MMP12 (0.54) MMP12KMT2AMEN1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1449824-B1 Process for producing erythro-3-amino-2-hydroxybutyric acid derivatives DAISO CO LTD (JP) 2006-08-02 EP disclosed
EP-1063232-B1 Process for producing erythro-3-amino-2-hydroxybutyric acid derivatives DAISO CO LTD (JP) 2005-12-14 EP disclosed
EP-1464638-A1 Process for producing erythro-3-amino-2-hydroxybutyric acid derivatives DAISO CO., LTD. (JP) 2004-10-06 EP disclosed
EP-1449824-A1 Process for producing erythro-3-amino-2-hydroxybutyric acid derivatives DAISO CO., LTD. (JP) 2004-08-25 EP disclosed
EP-1063232-A2 Process for producing erythro-3-amino-2-hydroxybutyric acid derivatives DAISO CO., LTD. (JP) 2000-12-27 EP disclosed