SCHEMBL16720488

SCHEMBL16720488

COc1c[c]c(-c2cccc(O)c2)c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.41
BCR P11274 2/20 0.41
ABCB1 P08183 1/20 0.41
HSD17B1 P14061 7/20 0.41
HSD17B2 P37059 7/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C9 P11712 3/20 0.41
HDAC4 P56524 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
ESR1 P03372 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2B6 P20813 2/20 0.40
CYP2C19 P33261 2/20 0.40
ESR2 Q92731 2/20 0.40
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40

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
SCHEMBL4284645 0.88 KDM1A (0.42) ABL1BCRABCB1HSD17B1HSD17B2
SCHEMBL16720142 0.87 BACE1 (0.46) ABL1BCRABCB1CYP3A4CYP2C9
SCHEMBL16719944 0.86 ESR2 (0.44) ABL1BCRABCB1HSD17B1HSD17B2
SCHEMBL4281437 0.78 HDAC4 (0.40) ABL1BCRABCB1HSD17B1HSD17B2
SCHEMBL16720127 0.77 COMT (0.40) ABL1BCRABCB1CYP3A4CYP2C9
SCHEMBL16720354 0.74 HSD17B1 (0.48) ABL1BCRABCB1HSD17B1HSD17B2
SCHEMBL1027189 0.73 HDAC4 (0.62) ABL1BCRABCB1HSD17B1HSD17B2
SCHEMBL16720143 0.73 MEN1 (0.51) ABL1BCRABCB1ESR1MAPK1
SCHEMBL21296972 0.72 ABL1 (0.73) ABL1BCRABCB1HSD17B1HSD17B2
SCHEMBL1026075 0.72 HSD17B1 (0.68) ABL1BCRABCB1HSD17B1HSD17B2

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
EP-3068758-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE The Wistar Institute Of Anatomy And Biology (US) 2016-09-21 EP disclosed
WO-2015073864-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE THE WISAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2015-05-21 WO disclosed