SCHEMBL25288385

SCHEMBL25288385

COc1cc(/C=C/C(=O)N2CCC=CC2=O)cc(OC)c1OCCOCCNC(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.68
TP53 P04637 3/20 0.68
HSD17B10 Q99714 3/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
MAPT P10636 2/20 0.68
LMNA P02545 2/20 0.68
CYP3A4 P08684 2/20 0.68
CYP1A2 P05177 1/20 0.68
HIF1A Q16665 1/20 0.68
PSMB11 A5LHX3 1/20 0.68
PSMA7 O14818 1/20 0.68
NPC1 O15118 1/20 0.68
FOXO3 O43524 1/20 0.68
MITF O75030 1/20 0.68
PSMB1 P20618 1/20 0.68
PSMA1 P25786 1/20 0.68
PSMA2 P25787 1/20 0.68
PSMA3 P25788 1/20 0.68
PSMA4 P25789 1/20 0.68
PSMB8 P28062 1/20 0.68

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
SCHEMBL25288386 1.00 ALDH1A1 (0.68) ALDH1A1TP53HSD17B10SMN1; SMN2MAPT
SCHEMBL25240648 1.00 ALDH1A1 (0.68) ALDH1A1TP53HSD17B10SMN1; SMN2MAPT
SCHEMBL25238224 1.00 ALDH1A1 (0.68) ALDH1A1TP53HSD17B10SMN1; SMN2MAPT
SCHEMBL25282131 1.00 ALDH1A1 (0.68) ALDH1A1TP53HSD17B10SMN1; SMN2MAPT
SCHEMBL25279817 1.00 ALDH1A1 (0.68) ALDH1A1TP53HSD17B10SMN1; SMN2MAPT
SCHEMBL25289138 0.91 ALDH1A1 (0.68) ALDH1A1TP53HSD17B10SMN1; SMN2MAPT
SCHEMBL25243968 0.91 ALDH1A1 (0.68) ALDH1A1TP53HSD17B10SMN1; SMN2MAPT
SCHEMBL25681985 0.89 ALDH1A1 (0.63) ALDH1A1TP53HSD17B10SMN1; SMN2MAPT
SCHEMBL25681948 0.89 ALDH1A1 (0.63) ALDH1A1TP53HSD17B10SMN1; SMN2MAPT
SCHEMBL25681916 0.89 ALDH1A1 (0.63) ALDH1A1TP53HSD17B10SMN1; SMN2MAPT

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
WO-2023114455-A1 DISCOVERY OF PIPERLONGUMINE AS A NOVEL E3 LIGASE LIGAND UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-06-22 WO disclosed