SCHEMBL28986923

SCHEMBL28986923

COc1cc(/C=C/C(=O)O)c(O)cc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.59
CA1 P00915 3/20 0.59
CA2 P00918 3/20 0.59
CA4 P22748 3/20 0.59
SNCA P37840 3/20 0.59
CA12 O43570 2/20 0.59
CA6 P23280 2/20 0.59
CA5A P35218 2/20 0.59
CA7 P43166 2/20 0.59
CA9 Q16790 2/20 0.59
CA14 Q9ULX7 2/20 0.59
CA5B Q9Y2D0 2/20 0.59
PKM P14618 2/20 0.59
CA3 P07451 1/20 0.59
CSNK2A2 P19784 1/20 0.59
CSNK2B P67870 1/20 0.59
CSNK2A1 P68400 1/20 0.59
CSNK2A3 Q8NEV1 1/20 0.59
PTGS1 P23219 1/20 0.56
PTGS2 P35354 1/20 0.56

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
SCHEMBL29216363 1.00 KDM4E (0.59) KDM4ECA1CA2CA4SNCA
SCHEMBL28662544 0.90 KDM4E (0.59) KDM4ECA1CA2CA4SNCA
SCHEMBL28662543 0.90 KDM4E (0.59) KDM4ECA1CA2CA4SNCA
SCHEMBL3694305 0.85 BACE1 (0.62) KDM4ECA1CA2CA4SNCA
SCHEMBL3694306 0.85 BACE1 (0.62) KDM4ECA1CA2CA4SNCA
SCHEMBL6852555 0.83 NFE2L2 (0.69) KDM4ECA1CA2CA4SNCA
SCHEMBL6852559 0.83 NFE2L2 (0.69) KDM4ECA1CA2CA4SNCA
SCHEMBL715804 0.80 NFE2L2 (0.76) KDM4ECA1CA2CA4SNCA
SCHEMBL30871940 0.80 NFE2L2 (0.76) KDM4ECA1CA2CA4SNCA
SCHEMBL715805 0.80 NFE2L2 (0.76) KDM4ECA1CA2CA4SNCA

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-117794534-A Compositions for modulating cortisol homeostasis and improving sleep quality and methods of use and preparation thereof 尤尼根公司 2024-03-29 CN disclosed
CN-115960999-A Biomarker for screening beta glucan with high anti-inflammatory activity and application of biomarker 暨南大学 2023-04-14 CN disclosed