SCHEMBL28033690

SCHEMBL28033690

COc1cc(C=CC(=O)Oc2ccc(CO)cc2)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.67
MET P08581 9/20 0.65
MAOB P27338 2/20 0.64
CA12 O43570 4/20 0.63
CA4 P22748 4/20 0.63
CA6 P23280 4/20 0.63
CA5A P35218 4/20 0.63
CA7 P43166 4/20 0.63
CA9 Q16790 4/20 0.63
CA14 Q9ULX7 4/20 0.63
CA5B Q9Y2D0 4/20 0.63
CYP2D6 P10635 3/20 0.63
NFKB1 P19838 3/20 0.63
CYP2C9 P11712 2/20 0.63
TSHR P16473 2/20 0.63
HSD17B10 Q99714 2/20 0.63
CYP1A2 P05177 2/20 0.63
ALOX5 P09917 2/20 0.63
HSD11B1 P28845 2/20 0.63
STAT3 P40763 2/20 0.63

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
SCHEMBL13704191 0.90 KDM4E (0.68) MAOBNFKB1HSD17B10NFE2L2KDM4E
SCHEMBL28033143 0.89 EPHX2 (0.74) EPHX2MAOBCA12CA4CA6
SCHEMBL28033636 0.88 CA12 (0.63) EPHX2METMAOBCA12CA4
SCHEMBL7575955 0.87 EPHX2 (0.70) EPHX2METMAOBCA12CA4
SCHEMBL28579544 0.87 EPHX2 (0.70) EPHX2METMAOBCA12CA4
SCHEMBL13266590 0.86 CA12 (0.60) EPHX2METMAOBCA12CA4
SCHEMBL9063290 0.85 EPHX2 (0.72) EPHX2MAOBCA12CA4CA6
SCHEMBL15282354 0.85 APP (0.60) MAOBCA12CA4CA6CA5A
SCHEMBL8532859 0.84 KDM4E (0.72) EPHX2MAOBCA12CA4CA6
SCHEMBL13266660 0.84 MET (0.65) EPHX2METMAOBCA12CA4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112843040-A Application of ferulic acid derivative in preparation of medicine for treating ischemic stroke in convalescent period 四川大学 2021-05-28 CN claimed
CN-104958287-B A kind of purposes of ferulic acid derivative as nerve protection medicine 四川大学 2019-01-22 CN claimed
CN-104592025-B Ferulate compound and preparation method thereof 杨安民 2017-05-17 CN claimed
CN-104958287-A Application of ferulic acid derivative as neuroprotective drug UNIV SICHUAN 2015-10-07 CN claimed
CN-112843040-A Application of ferulic acid derivative in preparation of medicine for treating ischemic stroke in convalescent period 四川大学 2021-05-28 CN disclosed
CN-112843040-A Application of ferulic acid derivative in preparation of medicine for treating ischemic stroke in convalescent period 四川大学 2021-05-28 CN disclosed
CN-104958287-B A kind of purposes of ferulic acid derivative as nerve protection medicine 四川大学 2019-01-22 CN disclosed
CN-104592025-B Ferulate compound and preparation method thereof 杨安民 2017-05-17 CN disclosed
CN-104958287-A Application of ferulic acid derivative as neuroprotective drug UNIV SICHUAN 2015-10-07 CN disclosed