Ferulate

Ferulate

SCHEMBL28514662

COc1cc(C=CC(=O)O)ccc1O.O=C(O)c1ccccc1

nearest known ligand 0.81

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CACNA1CCACNA1DCACNA1FCACNA1SDPP4HTR1BHTR1D

The experimentally established mechanism targets of Ferulate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.81
▸ CA12 O43570 3/20 0.81
▸ CA4 P22748 3/20 0.81
▸ CA6 P23280 3/20 0.81
▸ CA5A P35218 3/20 0.81
▸ CA7 P43166 3/20 0.81
▸ CA9 Q16790 3/20 0.81
▸ CA14 Q9ULX7 3/20 0.81
▸ CA5B Q9Y2D0 3/20 0.81
▸ CA1 P00915 2/20 0.81
▸ CA2 P00918 2/20 0.81
▸ CA3 P07451 2/20 0.81
▸ PKM P14618 2/20 0.81
▸ SNCA P37840 2/20 0.81
▸ CSNK2A2 P19784 1/20 0.81
▸ CSNK2B P67870 1/20 0.81
▸ CSNK2A1 P68400 1/20 0.81
▸ CSNK2A3 Q8NEV1 1/20 0.81
▸ CXCL12 P48061 3/20 0.74
▸ APP P05067 3/20 0.66

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
Ferulate SCHEMBL29268602 0.91 SNCA (0.79) KDM4ECA12CA4CA6CA5A
Ferulate SCHEMBL972445 0.91 SNCA (0.79) KDM4ECA12CA4CA6CA5A
Ferulate SCHEMBL18141908 0.90 KDM4E (0.83) KDM4ECA12CA4CA6CA5A
Ferulate SCHEMBL28581355 0.90 KDM4E (0.88) KDM4ECA12CA4CA6CA5A
Ferulate SCHEMBL7524929 0.90 KDM4E (0.88) KDM4ECA12CA4CA6CA5A
Ferulate SCHEMBL28581353 0.90 KDM4E (0.88) KDM4ECA12CA4CA6CA5A
Ferulate SCHEMBL15674 0.90 KDM4E (1.00) KDM4ECA12CA4CA6CA5A
Ferulate SCHEMBL30880441 0.90 KDM4E (1.00) KDM4ECA12CA4CA6CA5A
Ferulate SCHEMBL1703377 0.90 KDM4E (1.00) KDM4ECA12CA4CA6CA5A
Ferulate SCHEMBL1908219 0.90 KDM4E (1.00) KDM4ECA12CA4CA6CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112265974-B Preparation method and application of amorphous iron phosphate 安徽同心新材料科技有限公司 2022-06-24 — — CN claimed
CN-112265974-A Preparation method and application of amorphous iron phosphate 安徽同心新材料科技有限公司 2021-01-26 — — CN claimed
CN-112265974-B Preparation method and application of amorphous iron phosphate 安徽同心新材料科技有限公司 2022-06-24 — — CN disclosed
CN-112265974-A Preparation method and application of amorphous iron phosphate 安徽同心新材料科技有限公司 2021-01-26 — — CN disclosed
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