SCHEMBL22089487

SCHEMBL22089487

CCOC(=O)CC(=O)OCOc1ccc(Cl)c2cccnc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.61
KDM4E B2RXH2 9/20 0.60
ALOX12 P18054 2/20 0.57
CYP3A4 P08684 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 6/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 3/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 4/20 0.48
CCR6 P51684 2/20 0.48
HSP90AA1 P07900 2/20 0.48
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 3/20 0.47
HSD17B10 Q99714 2/20 0.47
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL27850572 0.88 KDM4E (0.58) PKMKDM4EALOX12CYP3A4TDP1
SCHEMBL21582871 0.88 PKM (0.60) PKMKDM4EALOX12CYP3A4TDP1
SCHEMBL29514385 0.88 PKM (0.67) PKMKDM4EALOX12CYP3A4TDP1
SCHEMBL342559 0.88 PKM (0.67) PKMKDM4EALOX12CYP3A4TDP1
SCHEMBL30493067 0.85 KDM4E (0.71) PKMKDM4EALOX12CYP3A4TDP1
SCHEMBL21049498 0.85 KDM4E (0.71) PKMKDM4EALOX12CYP3A4TDP1
SCHEMBL28990431 0.82 MAPT (0.62) PKMKDM4EALOX12CYP3A4TDP1
SCHEMBL11082825 0.81 KDM4E (0.61) PKMKDM4EALOX12CYP3A4TDP1
Hydrochloric Acid SCHEMBL11086793 0.81 KDM4E (0.60) PKMKDM4EALOX12CYP3A4TDP1
SCHEMBL28355171 0.80 KDM4E (0.72) PKMKDM4EALOX12CYP3A4TDP1

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
WO-2020124531-A1 TERNARY HERBICIDAL COMPOSITION CONTAINING CYCLOPYRIMORATE AND APPLICATION THEREOF 青岛清原化合物有限公司 2020-06-25 WO disclosed
WO-2020124532-A1 TERNARY WEEDING COMPOSITION CONTAINING TRIFLUDIMOXAZIN AND APPLICATION THEREOF 青岛清原化合物有限公司 2020-06-25 WO disclosed
WO-2020118754-A1 TERNARY WEEDING COMPOSITION CONTAINING PYROXASULFONE AND USE THEREOF 青岛清原化合物有限公司 2020-06-18 WO disclosed