SCHEMBL28518772

SCHEMBL28518772

C=COC(=O)/C=C/c1ccc(O)c(OC)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.74
CYP2D6 P10635 3/20 0.68
CYP1A2 P05177 2/20 0.68
ALOX5 P09917 2/20 0.68
NFKB1 P19838 2/20 0.68
HSD11B1 P28845 2/20 0.68
STAT3 P40763 2/20 0.68
NFKB2 Q00653 2/20 0.68
RELA Q04206 2/20 0.68
NFE2L2 Q16236 2/20 0.68
CA12 O43570 3/20 0.67
CA4 P22748 3/20 0.67
CA6 P23280 3/20 0.67
CA5A P35218 3/20 0.67
CA7 P43166 3/20 0.67
CA9 Q16790 3/20 0.67
CA14 Q9ULX7 3/20 0.67
CA5B Q9Y2D0 3/20 0.67
MAOB P27338 3/20 0.67
APP P05067 3/20 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
SCHEMBL16816896 1.00 EPHX2 (0.74) EPHX2CYP2D6CYP1A2ALOX5NFKB1
SCHEMBL8664544 0.88 KDM4E (0.65) EPHX2NFKB1NFE2L2KDM4ECA1
SCHEMBL11758451 0.85 EPHX2 (0.78) EPHX2CYP2D6CYP1A2ALOX5NFKB1
SCHEMBL3043673 0.85 EPHX2 (0.82) EPHX2CYP2D6CYP1A2ALOX5NFKB1
Methyl Cis-Ferulate SCHEMBL29406729 0.85 EPHX2 (1.00) EPHX2CYP2D6CYP1A2ALOX5NFKB1
Methyl Cis-Ferulate SCHEMBL2085720 0.85 EPHX2 (1.00) EPHX2CYP2D6CYP1A2ALOX5NFKB1
Methyl Cis-Ferulate SCHEMBL510492 0.85 EPHX2 (1.00) EPHX2CYP2D6CYP1A2ALOX5NFKB1
Ferulate SCHEMBL28222072 0.84 KDM4E (0.77) EPHX2CYP2D6CYP1A2ALOX5NFKB1
SCHEMBL22779019 0.84 EPHX2 (0.80) EPHX2CYP2D6CYP1A2ALOX5NFKB1
Methyl Cis-Ferulate SCHEMBL30211782 0.84 EPHX2 (0.97) EPHX2CYP2D6CYP1A2ALOX5NFKB1

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
US-20240309410-A1 AN ENZYMATIC PROCESS FOR PRODUCING HYDROXYCINNAMIC ACID AMIDES (HCAA) ANALYTICON DISCOVERY GMBH (DE) 2024-09-19 US disclosed
EP-4431611-A1 AN ENZYMATIC PROCESS FOR PRODUCING HYDROXYCINNAMIC ACID AMIDES (HCAA) Analyticon Discovery GmbH (DE) 2024-09-18 EP disclosed
CN-108191629-B Ferulic acid derivative and application thereof 刘策 2020-12-29 CN disclosed
CN-108191629-B Ferulic acid derivative and application thereof 刘策 2020-12-29 CN disclosed