SCHEMBL28033367

SCHEMBL28033367

O=CNOC(=O)c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.52
NR4A2 P43354 1/20 0.52
NR4A3 Q92570 1/20 0.52
MMP3 P08254 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
CDC25B P30305 2/20 0.50
PLK1 P53350 1/20 0.50
PTPN1 P18031 1/20 0.46
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
ADRB2 P07550 2/20 0.45
ADRB1 P08588 2/20 0.45
ADRB3 P13945 2/20 0.45
HPGD P15428 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
DEGS1 O15121 1/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL21801771 0.85 CYP3A4 (0.42) KMT2APOLBGAACDC25BKDM4E
SCHEMBL3681608 0.79 NR4A1 (0.55) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL522791 0.78 MAPT (0.63) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL29580762 0.78 MAPT (0.63) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL29459734 0.77 NR4A1 (0.63) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL5987790 0.77 NR4A1 (0.63) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL137605 0.77 NR4A1 (0.63) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL29990575 0.77 NR4A1 (0.63) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL28636158 0.77 KMT2A (0.51) KMT2APOLBGAAKDM4EALDH1A1
SCHEMBL11055936 0.77 MAPT (0.61) NR4A1NR4A2NR4A3MMP3HDAC8

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
CN-105057112-B Rare earth ore collecting agent and preparation method and application thereof 中国地质科学院矿产综合利用研究所 2017-05-10 CN disclosed
CN-105057112-A Rare earth ore collecting agent and preparation method and application thereof INST MULTIPURPOSE UTILIZATION MINERAL RESOURCES CAGS 2015-11-18 CN disclosed