SCHEMBL16710261

SCHEMBL16710261

CCOC(=O)C=C1CC(C)(C)NC(C)(C)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 5/20 0.42
ALDH1A1 P00352 5/20 0.42
GAA P10253 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPK1 P28482 3/20 0.41
HSD17B10 Q99714 3/20 0.41
ESR2 Q92731 1/20 0.41
CASP1 P29466 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
ALOX15 P16050 1/20 0.36
POLB P06746 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
SCHEMBL27273922 0.84 ESR2 (0.44) KDM4ELMNAHPGDALDH1A1GAA
SCHEMBL28241606 0.84 ESR2 (0.44) KDM4ELMNAHPGDALDH1A1GAA
SCHEMBL22026249 0.81 KDM4E (0.41) KDM4ELMNAHPGDALDH1A1GAA
SCHEMBL31217645 0.81 HPGD (0.40) KDM4ELMNAHPGDALDH1A1GAA
SCHEMBL3084109 0.81 ESR2 (0.42) KDM4ELMNAHPGDALDH1A1GAA
SCHEMBL6614748 0.79 HPGD (0.41) KDM4ELMNAHPGDALDH1A1GAA
SCHEMBL6902458 0.77 ESR2 (0.42) KDM4ELMNAHPGDALDH1A1GAA
SCHEMBL22412934 0.76 ESR2 (0.41) KDM4ELMNAHPGDALDH1A1GAA
SCHEMBL22030239 0.76 ESR2 (0.42) KDM4ELMNAHPGDALDH1A1GAA
SCHEMBL2502784 0.75

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-20180114919-A1 DYE-SENSITIZED SOLAR CELL AND ELECTROLYSIS SOLUTION FOR DYE-SENSITIZED SOLAR CELL SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2018-04-26 US disclosed
US-20180114919-A1 DYE-SENSITIZED SOLAR CELL AND ELECTROLYSIS SOLUTION FOR DYE-SENSITIZED SOLAR CELL SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2018-04-26 US disclosed
WO-2015068725-A1 CHARGE-TRANSPORTING MATERIAL FOR PHOTOELECTROCHEMICAL ELEMENTS 住友精化株式会社 2015-05-14 WO disclosed