Ferulate

Ferulate

SCHEMBL18167441

COc1cc(/C=C/C(=O)O)ccc1O.OCCCc1ccccc1

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 4/20 0.73
▸ CA12 O43570 3/20 0.70
▸ CA4 P22748 3/20 0.70
▸ CA6 P23280 3/20 0.70
▸ CA5A P35218 3/20 0.70
▸ CA7 P43166 3/20 0.70
▸ CA9 Q16790 3/20 0.70
▸ CA14 Q9ULX7 3/20 0.70
▸ CA5B Q9Y2D0 3/20 0.70
▸ KDM4E B2RXH2 3/20 0.70
▸ CA1 P00915 2/20 0.70
▸ CA2 P00918 2/20 0.70
▸ CA3 P07451 2/20 0.70
▸ PKM P14618 2/20 0.70
▸ SNCA P37840 2/20 0.70
▸ CSNK2A2 P19784 1/20 0.70
▸ CSNK2B P67870 1/20 0.70
▸ CSNK2A1 P68400 1/20 0.70
▸ CSNK2A3 Q8NEV1 1/20 0.70
▸ TTR P02766 1/20 0.67

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 SCHEMBL19125271 0.89 ALOX5 (0.81) ALOX5CA12CA4CA6CA5A
Ferulate SCHEMBL17440479 0.89 ALOX5 (0.81) ALOX5CA12CA4CA6CA5A
Ethyl Ferulate SCHEMBL18167460 0.88 TTR (0.73) ALOX5CA12CA4CA6CA5A
SCHEMBL9533683 0.85 ALOX5 (1.00) ALOX5CA12CA4CA6CA5A
SCHEMBL30219096 0.85 ALOX5 (1.00) ALOX5CA12CA4CA6CA5A
SCHEMBL3686080 0.85 ALOX5 (1.00) ALOX5CA12CA4CA6CA5A
Ferulate SCHEMBL28236858 0.84 ALOX5 (0.67) ALOX5CA12CA4CA6CA5A
Ferulate SCHEMBL5704520 0.84 KDM4E (0.88) ALOX5CA12CA4CA6CA5A
Ferulate SCHEMBL7524929 0.84 KDM4E (0.88) ALOX5CA12CA4CA6CA5A
Ferulate SCHEMBL28581355 0.84 KDM4E (0.88) ALOX5CA12CA4CA6CA5A

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
US-9907737-B2 Composition comprising ferulic acid ethyl ester and aryl alkanol L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2018-03-06 — — US disclosed
US-20160310382-A1 COMPOSITION COMPRISING FERULIC ACID ETHYL ESTER AND ARYL ALKANOL ASHLAND SPECIALTIES DEUTSCHLAND GMBH (DE) 2016-10-27 — — US disclosed
Send feedback