SCHEMBL30746753

SCHEMBL30746753

COc1cc(/C=C/C(=O)O)c(-c2cccc(O)c2O)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA4 P22748 3/20 0.50
PKM P14618 2/20 0.50
CA12 O43570 2/20 0.50
CA6 P23280 2/20 0.50
CA5A P35218 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA5B Q9Y2D0 2/20 0.50
SNCA P37840 2/20 0.50
CA3 P07451 1/20 0.50
CSNK2A2 P19784 1/20 0.50
CSNK2B P67870 1/20 0.50
CSNK2A1 P68400 1/20 0.50
CSNK2A3 Q8NEV1 1/20 0.50
NR1H4 Q96RI1 1/20 0.47
PTGS1 P23219 1/20 0.47

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
SCHEMBL30117591 0.85 NFKB1 (0.53) KDM4ECA1CA2CA4CA12
SCHEMBL28986923 0.77 KDM4E (0.59) KDM4ECA1CA2CA4PKM
SCHEMBL29216363 0.77 KDM4E (0.59) KDM4ECA1CA2CA4PKM
SCHEMBL28662544 0.77 KDM4E (0.59) KDM4ECA1CA2CA4PKM
SCHEMBL28662543 0.77 KDM4E (0.59) KDM4ECA1CA2CA4PKM
SCHEMBL30746762 0.77 MAPT (0.47) KDM4ECA1CA2CA4PKM
SCHEMBL9094389 0.76 NFKB1 (0.66) KDM4ECA1CA2CA4NR1H4
SCHEMBL3694305 0.74 BACE1 (0.62) KDM4ECA1CA2CA4PKM
SCHEMBL3694306 0.74 BACE1 (0.62) KDM4ECA1CA2CA4PKM
SCHEMBL3687130 0.73 KDM4E (0.66) KDM4EPKMNR1H4PTGS1PTGS2

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-114317614-B Method for preparing humic acid-like by using lignin precursor and application of humic acid-like by using lignin precursor 安徽农业大学 2024-01-30 CN claimed