SCHEMBL28489159

SCHEMBL28489159

CCCCCCCCC(=O)Oc1ccc(C)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
ALOX15 P16050 1/20 0.48
ALDH1A1 P00352 8/20 0.47
KDM4E B2RXH2 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
TOP2A P11388 2/20 0.47
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 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
SCHEMBL27988647 0.86 ALDH1A1 (0.59) KMT2ASMN1; SMN2ALOX15ALDH1A1KDM4E
SCHEMBL7177559 0.83 ALDH1A1 (0.44) KMT2ASMN1; SMN2ALOX15ALDH1A1TDP1
SCHEMBL4304737 0.83 GAA (0.60) KMT2AMEN1SMN1; SMN2ALOX15ALDH1A1
SCHEMBL2535107 0.83 GAA (0.60) KMT2AMEN1SMN1; SMN2ALOX15ALDH1A1
SCHEMBL475206 0.83 GAA (0.60) KMT2AMEN1SMN1; SMN2ALOX15ALDH1A1
SCHEMBL11622337 0.83 GAA (0.60) KMT2AMEN1SMN1; SMN2ALOX15ALDH1A1
SCHEMBL991982 0.83 GAA (0.60) KMT2AMEN1SMN1; SMN2ALOX15ALDH1A1
SCHEMBL1918538 0.83 GAA (0.60) KMT2AMEN1SMN1; SMN2ALOX15ALDH1A1
SCHEMBL31312898 0.83 GAA (0.60) KMT2AMEN1SMN1; SMN2ALOX15ALDH1A1
SCHEMBL3663773 0.83 GAA (0.60) KMT2AMEN1SMN1; SMN2ALOX15ALDH1A1

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-108935467-B Preparation and application of herbicidal compounds of phenol esters with different substituents 湖南省农业生物技术研究所 2020-12-22 CN disclosed