SCHEMBL28660465

SCHEMBL28660465

CC=Cc1ccc(O)c(OC)c1CC.NC(=O)c1ccccc1C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MAOB P27338 2/20 0.34
AR P10275 1/20 0.34
APP P05067 1/20 0.34
PTPN1 P18031 2/20 0.33
PARP1 P09874 1/20 0.33
BRAF P15056 1/20 0.33
MEN1 O00255 1/20 0.33
NR1I2 O75469 1/20 0.33
CHRM2 P08172 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADRA2A P08913 1/20 0.33

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
SCHEMBL874193 0.85 TYR (0.40) MAPTALDH1A1KDM4ETSHRLMNA
SCHEMBL1259776 0.79 PTPN1 (0.42) MAPTALDH1A1KDM4EHPGDHSD17B10
Cinnamaldehyde SCHEMBL29088467 0.79 ALDH1A1 (0.42) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL28660471 0.77 PTPN1 (0.38) MAPTALDH1A1KDM4EHPGDTSHR
SCHEMBL18035643 0.76 TYR (0.39) MAPTCA1CA2APPPTPN1
Hydrochloric Acid SCHEMBL7999971 0.76 NNMT (0.38) MAPTALDH1A1KDM4EHPGDTSHR
Phenol SCHEMBL28872804 0.75 CA1 (0.44) MAPTALDH1A1KDM4ECA1CA2
SCHEMBL1405663 0.75 KDM4E (0.46) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL26046430 0.74 TYR (0.40) MAPTALDH1A1KDM4ETSHRLMNA
SCHEMBL873591 0.74 CA1 (0.40) ALDH1A1CA1CA2

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
CN-113801022-B Eugenol ferulate and isoeugenol hybrid and application thereof 贵州大学 2023-07-28 CN disclosed
CN-113801022-A Ferulic acid eugenol and isoeugenol heterozygote and application thereof 贵州大学 2021-12-17 CN disclosed