SCHEMBL28061640

SCHEMBL28061640

C=CC(=O)OCc1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.51
PDE7A Q13946 2/20 0.48
PDE3A Q14432 2/20 0.48
PDE4B Q07343 1/20 0.48
PDE4D Q08499 1/20 0.48
PDE7B Q9NP56 1/20 0.48
PSMB11 A5LHX3 1/20 0.48
PSMA7 O14818 1/20 0.48
PSMB1 P20618 1/20 0.48
PSMA1 P25786 1/20 0.48
PSMA2 P25787 1/20 0.48
PSMA3 P25788 1/20 0.48
PSMA4 P25789 1/20 0.48
PSMB8 P28062 1/20 0.48
PSMB9 P28065 1/20 0.48
PSMA5 P28066 1/20 0.48
PSMB4 P28070 1/20 0.48
PSMB6 P28072 1/20 0.48
PSMB5 P28074 1/20 0.48
PSMB10 P40306 1/20 0.48

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
SCHEMBL25311654 0.87 MET (0.67) METCYP3A4
SCHEMBL21913948 0.80 TSHR (0.46) METCYP3A4
SCHEMBL27607948 0.80 ALDH1A1 (0.59) METCYP3A4
SCHEMBL9013670 0.80 MET (0.43) METKMT2APTGS2
SCHEMBL4472398 0.80 PDE7A (0.52) PDE7APDE3APDE4BPDE4DPDE7B
SCHEMBL24703867 0.77 PDE7A (0.50) PDE7APDE3APDE4BPDE4DPDE7B
SCHEMBL22667466 0.76 MET (0.42) METCYP3A4
SCHEMBL24191462 0.76 ALDH1A1 (0.48) METCYP3A4
SCHEMBL21244244 0.76 MET (0.42) METCYP3A4
SCHEMBL27518941 0.76 MEN1 (0.50) PSMB11PSMA7PSMB1PSMA1PSMA2

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-107494553-B Agricultural bactericide derived from gallic acid and application 西华大学 2020-09-11 CN disclosed
CN-105523961-A Design, synthesis and biological activity evaluation of multi-methoxy anti-tumor compound with cinnamon acylhydrazone skeletons NANJING UNIVERSITY OF TECHNOLOGY 2016-04-27 CN disclosed