SCHEMBL28880321

SCHEMBL28880321

C=C(C)CCc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)cc(OC)c1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 8/20 0.66
MAPT P10636 8/20 0.66
ALOX5 P09917 5/20 0.66
NFKB1 P19838 3/20 0.66
BACE1 P56817 3/20 0.66
MMP9 P14780 3/20 0.66
CYP2D6 P10635 2/20 0.66
CYP2C9 P11712 2/20 0.66
TSHR P16473 2/20 0.66
HSD17B10 Q99714 2/20 0.66
ABCB1 P08183 2/20 0.66
AKR1B1 P15121 2/20 0.66
MAOA P21397 2/20 0.66
MAOB P27338 2/20 0.66
HDAC3 O15379 2/20 0.66
HDAC1 Q13547 2/20 0.66
HDAC2 Q92769 2/20 0.66
HDAC6 Q9UBN7 2/20 0.66
STAT3 P40763 2/20 0.66
NFKB2 Q00653 2/20 0.66

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
SCHEMBL28880315 0.86 ALOX5 (0.65) APPMAPTALOX5NFKB1BACE1
SCHEMBL29986042 0.86 ALOX5 (0.65) APPMAPTALOX5NFKB1BACE1
SCHEMBL14586438 0.84 APP (0.89) APPMAPTALOX5NFKB1BACE1
SCHEMBL31206242 0.84 APP (0.89) APPMAPTALOX5NFKB1BACE1
SCHEMBL28880249 0.84 APP (0.70) APPMAPTALOX5NFKB1BACE1
SCHEMBL29986453 0.84 APP (0.70) APPMAPTALOX5NFKB1BACE1
Curcumin SCHEMBL40025 0.81 APP (0.94) APPMAPTALOX5NFKB1BACE1
Curcumin SCHEMBL20562725 0.81 APP (0.94) APPMAPTALOX5NFKB1BACE1
Curcumin SCHEMBL2177792 0.81 APP (0.94) APPMAPTALOX5NFKB1BACE1
Curcumin SCHEMBL2177794 0.81 APP (0.94) APPMAPTALOX5NFKB1BACE1

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