SCHEMBL5553040

SCHEMBL5553040

C/C=C(/C)CN1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
KDM4E B2RXH2 5/20 0.48
HSD17B10 Q99714 2/20 0.48
TSHR P16473 2/20 0.47
ALOX15 P16050 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HTT P42858 1/20 0.40
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
GLA P06280 1/20 0.36

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
SCHEMBL17724326 0.82 KDM4E (0.41) MAPTKDM4EHSD17B10TSHRALOX15
SCHEMBL22990321 0.79 KDM4E (0.44) MAPTKDM4EHSD17B10TSHRALOX15
SCHEMBL11563753 0.79 KDM4E (0.39) MAPTKDM4EHSD17B10TSHRALOX15
SCHEMBL11563754 0.79 KDM4E (0.39) MAPTKDM4EHSD17B10TSHRALOX15
SCHEMBL7228350 0.79 KDM4E (0.50) MAPTKDM4EHSD17B10TSHRALOX15
SCHEMBL70060 0.78 KDM4E (0.54) MAPTKDM4EHSD17B10TSHRALOX15
SCHEMBL11562171 0.78 KDM4E (0.41) MAPTKDM4EHSD17B10TSHRALOX15
SCHEMBL11562173 0.78 KDM4E (0.41) MAPTKDM4EHSD17B10TSHRALOX15
SCHEMBL11561471 0.77 KDM4E (0.40) MAPTKDM4EHSD17B10TSHRALOX15
SCHEMBL11564268 0.77 KDM4E (0.40) MAPTKDM4EHSD17B10TSHRALOX15

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-2629771-B1 USE OF PI3K INHIBITORS FOR THE TREATMENT OF OBESITY, STEATOSIS AND AGEING FUNDACION CENTRO NAC DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) 2018-08-08 EP disclosed
WO-2012052745-A1 COMBINATIONS OF PI3K INHIBITORS WITH A SECOND ANTI -TUMOR AGENT CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-04-26 WO disclosed