Ferulate

Ferulate

SCHEMBL20546258

COc1cc(/C=C/C(=O)[O-])ccc1O.COc1cc(/C=C/C(=O)[O-])ccc1O.COc1cc(/C=C/C(=O)[O-])ccc1O.[La+3]

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.77
NFKB1 P19838 3/20 0.77
CYP1A2 P05177 2/20 0.77
ALOX5 P09917 2/20 0.77
HSD11B1 P28845 2/20 0.77
STAT3 P40763 2/20 0.77
NFKB2 Q00653 2/20 0.77
RELA Q04206 2/20 0.77
NFE2L2 Q16236 2/20 0.77
APP P05067 4/20 0.74
KDM4E B2RXH2 2/20 0.74
CA12 O43570 2/20 0.74
CA1 P00915 2/20 0.74
CA2 P00918 2/20 0.74
CA3 P07451 2/20 0.74
PKM P14618 2/20 0.74
CA4 P22748 2/20 0.74
CA6 P23280 2/20 0.74
CA5A P35218 2/20 0.74
SNCA P37840 2/20 0.74

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 SCHEMBL22207956 1.00 CYP2D6 (0.77) CYP2D6NFKB1CYP1A2ALOX5HSD11B1
Ferulate SCHEMBL31338558 0.98 CYP2D6 (0.74) CYP2D6NFKB1CYP1A2ALOX5HSD11B1
Ferulate SCHEMBL81854 0.98 CYP2D6 (0.74) CYP2D6NFKB1CYP1A2ALOX5HSD11B1
Ferulate SCHEMBL31527467 0.98 CYP2D6 (0.74) CYP2D6NFKB1CYP1A2ALOX5HSD11B1
Ferulate SCHEMBL31534808 0.98 CYP2D6 (0.74) CYP2D6NFKB1CYP1A2ALOX5HSD11B1
Ferulate SCHEMBL81855 0.98 CYP2D6 (0.74) CYP2D6NFKB1CYP1A2ALOX5HSD11B1
Ferulate SCHEMBL22206814 0.98 CYP2D6 (0.74) CYP2D6NFKB1CYP1A2ALOX5HSD11B1
Ferulate SCHEMBL22206812 0.98 CYP2D6 (0.74) CYP2D6NFKB1CYP1A2ALOX5HSD11B1
Ferulate SCHEMBL30241463 0.98 CYP2D6 (0.74) CYP2D6NFKB1CYP1A2ALOX5HSD11B1
Ferulate SCHEMBL30241498 0.98 CYP2D6 (0.74) CYP2D6NFKB1CYP1A2ALOX5HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108795224-B Coating and method for using and producing the same 艾仕得涂料系统有限责任公司 2021-12-14 CN disclosed
US-10934438-B2 Coatings and methods for using and producing the same AXALTA COATING SYSTEMS IP CO., LLC (US) 2021-03-02 US disclosed
US-20180312701-A1 COATINGS AND METHODS FOR USING AND PRODUCING THE SAME AXALTA COATING SYSTEMS IP CO., LLC (US) 2018-11-01 US disclosed