SCHEMBL28880283

SCHEMBL28880283

C=CCc1cc(C=CC(=O)CC(=O)C=C)cc(OC)c1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.70
PTGES O14684 3/20 0.59
STAT3 P40763 3/20 0.59
NFE2L2 Q16236 3/20 0.59
PTGS1 P23219 3/20 0.59
NFKB1 P19838 3/20 0.57
NFKB2 Q00653 2/20 0.57
RELA Q04206 2/20 0.57
BACE1 P56817 4/20 0.51
MAPT P10636 4/20 0.51
CYP2D6 P10635 3/20 0.51
CYP2C9 P11712 3/20 0.51
MEN1 O00255 3/20 0.51
POLB P06746 3/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
GAA P10253 3/20 0.51
TSHR P16473 2/20 0.51
HSD17B10 Q99714 2/20 0.51

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
SCHEMBL29985498 0.96 ALOX5 (0.74) ALOX5PTGESSTAT3NFE2L2PTGS1
SCHEMBL28880317 0.91 ALOX5 (0.72) ALOX5PTGESSTAT3NFE2L2PTGS1
SCHEMBL29985856 0.91 ALOX5 (0.72) ALOX5PTGESSTAT3NFE2L2PTGS1
SCHEMBL28880249 0.88 APP (0.70) ALOX5PTGESSTAT3NFE2L2PTGS1
SCHEMBL29986453 0.88 APP (0.70) ALOX5PTGESSTAT3NFE2L2PTGS1
SCHEMBL29986042 0.86 ALOX5 (0.65) ALOX5PTGESSTAT3NFE2L2PTGS1
SCHEMBL28880315 0.86 ALOX5 (0.65) ALOX5PTGESSTAT3NFE2L2PTGS1
SCHEMBL4840703 0.86 PKM (0.68) ALOX5PTGESSTAT3NFE2L2PTGS1
SCHEMBL4840709 0.86 PKM (0.68) ALOX5PTGESSTAT3NFE2L2PTGS1
SCHEMBL14253555 0.81 ALOX5 (0.60) ALOX5PTGESSTAT3NFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110229056-B Novel curcumin analogue and preparation method and application thereof 天津科技大学 2022-11-08 CN disclosed