SCHEMBL11282170

SCHEMBL11282170

COc1ccc(/C=C/C(=O)c2c(OC)cc(OC)cc2OC(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 6/20 0.75
TDP1 Q9NUW8 3/20 0.68
KMT2A Q03164 5/20 0.66
MKNK2 Q9HBH9 1/20 0.63
MAPT P10636 6/20 0.62
LMNA P02545 2/20 0.62
MAPK1 P28482 2/20 0.62
NFKB1 P19838 1/20 0.62
DPP4 P27487 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
TNFRSF1A P19438 3/20 0.61
NPC1 O15118 1/20 0.60
F3 P13726 1/20 0.59
KDM4E B2RXH2 3/20 0.58
MEN1 O00255 3/20 0.58
POLB P06746 1/20 0.58
CYP3A4 P08684 3/20 0.57
TP53 P04637 2/20 0.57
ATM Q13315 1/20 0.57

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
SCHEMBL11282177 1.00 ABCG2 (0.75) ABCG2TDP1KMT2AMKNK2MAPT
SCHEMBL11075164 0.94 ABCG2 (0.70) ABCG2TDP1KMT2AMKNK2MAPT
SCHEMBL11075157 0.94 ABCG2 (0.70) ABCG2TDP1KMT2AMKNK2MAPT
4,2',4',6'-Tetramethoxychalcone SCHEMBL633892 0.89 ABCG2 (0.94) ABCG2TDP1KMT2AMKNK2MAPT
4,2',4',6'-Tetramethoxychalcone SCHEMBL633215 0.89 ABCG2 (0.94) ABCG2TDP1KMT2AMKNK2MAPT
SCHEMBL11078312 0.88 ABCG2 (0.71) ABCG2TDP1KMT2AMKNK2MAPT
SCHEMBL11078315 0.88 ABCG2 (0.71) ABCG2TDP1KMT2AMKNK2MAPT
SCHEMBL10846925 0.87 ABCG2 (0.79) ABCG2TDP1KMT2AMKNK2MAPT
SCHEMBL10846921 0.87 ABCG2 (0.79) ABCG2TDP1KMT2AMKNK2MAPT
SCHEMBL10843885 0.86 ABCG2 (0.61) ABCG2TDP1KMT2AMKNK2MAPT

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
US-4327088-A ANTIVIRAL AGENTS HOFFMANN-LA ROCHE INC. (US) 1982-04-27 US disclosed