SCHEMBL4697731

SCHEMBL4697731

CC(C)(C)C(=O)OCOC(=O)NCC1CCC(C(=O)O)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.44
PLG P00747 1/20 0.38
PLAT P00750 1/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 2/20 0.36
CYP2C9 P11712 2/20 0.36
MEN1 O00255 1/20 0.36
DRD2 P14416 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MMP12 P39900 4/20 0.35
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
HPGD P15428 1/20 0.34
PKM P14618 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL914600 1.00 KMT2A (0.51) KMT2ASMN1; SMN2PLGPLATLMNA
Bicarbonate SCHEMBL3254944 0.86 CYP2D6 (0.42) KMT2ATDP1KDM4ECYP2D6POLB
Acetic Acid SCHEMBL3809092 0.84 CYP2D6 (0.41) KMT2ATDP1KDM4ECYP2D6POLB
SCHEMBL916025 0.83 KMT2A (0.51) KMT2ASMN1; SMN2PLGPLATLMNA
SCHEMBL916023 0.83 KMT2A (0.51) KMT2ASMN1; SMN2PLGPLATLMNA
SCHEMBL916168 0.82 KMT2A (0.50) KMT2ASMN1; SMN2PLGPLATLMNA
SCHEMBL916167 0.82 KMT2A (0.50) KMT2ASMN1; SMN2PLGPLATLMNA
SCHEMBL925790 0.80 KMT2A (0.54) KMT2ASMN1; SMN2PLGPLATLMNA
SCHEMBL925792 0.80 KMT2A (0.54) KMT2ASMN1; SMN2PLGPLATLMNA
SCHEMBL353652 0.79 KMT2A (0.71) KMT2ASMN1; SMN2DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2042168-B1 Inhalation formulation comprising phenethanolamine derivatives for the treatment of respiratory diseases GLAXO GROUP LTD (GB) 2013-10-23 EP claimed
EP-1425001-B1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LTD (GB) 2008-12-17 EP claimed
EP-1675823-B1 PHENETHANOLAMINE DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LTD (GB) 2008-07-23 EP claimed
EP-1633748-B1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LTD (GB) 2008-03-05 EP claimed
EP-1497261-B1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LTD (GB) 2007-12-19 EP claimed
EP-1554264-B1 MEDICINAL ARYLETHANOLAMINE COMPOUNDS GLAXO GROUP LTD (GB) 2007-08-08 EP claimed