SCHEMBL28989702

SCHEMBL28989702

C=C(C(=O)OC)c1cccc2ccc3ccccc3c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.45
PTK2B Q14289 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MMP3 P08254 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
MTNR1A P48039 1/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CDC25B P30305 2/20 0.39
CDC25A P30304 1/20 0.39

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
SCHEMBL3794319 0.87 PLK1 (0.54) PLK1PTK2BL3MBTL1MMP3HDAC8
SCHEMBL28005093 0.85 PLK1 (0.45) PLK1PTK2BL3MBTL1MMP3HDAC8
SCHEMBL12486711 0.81 MAPT (0.54) PLK1PTK2BMMP3HDAC8NR4A1
SCHEMBL4080385 0.80 ALDH1A1 (0.48) L3MBTL1HDAC8MTNR1AMAPTALDH1A1
SCHEMBL5356617 0.77 ALDH1A1 (0.54) PLK1MTNR1AMAPTALDH1A1KDM4E
SCHEMBL22281609 0.75 NR4A1 (0.52) PLK1PTK2BL3MBTL1MMP3HDAC8
SCHEMBL4089209 0.75 ALDH1A1 (0.48) MAPTALDH1A1KDM4EHPGDCDC25B
SCHEMBL28989639 0.74 ALDH1A1 (0.49) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL7640335 0.74 PLK1 (0.58) PLK1MMP3HDAC8NR4A1NR4A2
SCHEMBL23698265 0.73 NR4A1 (0.53) PLK1PTK2BL3MBTL1MMP3HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115989251-A Composition comprising an additive having polycyclic aromatic groups 伊英克公司 2023-04-18 CN disclosed