SCHEMBL28022689

SCHEMBL28022689

O=C(Oc1cccc2ccccc12)c1ccc2cc(O)ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.56
PTGES O14684 1/20 0.54
CLK1 P49759 1/20 0.53
DYRK1A Q13627 1/20 0.53
DYRK1B Q9Y463 1/20 0.53
KMT2A Q03164 8/20 0.50
HSD17B10 Q99714 3/20 0.50
EGFR P00533 1/20 0.49
ESR1 P03372 6/20 0.49
MEN1 O00255 5/20 0.49
ESR2 Q92731 5/20 0.49
GAA P10253 3/20 0.49
MAPT P10636 2/20 0.49
RAB9A P51151 2/20 0.49
JAK2 O60674 1/20 0.49
USP2 O75604 1/20 0.49
ALOX15 P16050 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NPC1 O15118 1/20 0.49

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
SCHEMBL3199339 0.93 CLK1 (0.54) ALOX5PTGESCLK1DYRK1ADYRK1B
SCHEMBL4596186 0.91 ALOX5 (0.62) ALOX5PTGESKMT2AHSD17B10ESR1
SCHEMBL16660338 0.89 KMT2A (0.49) ALOX5PTGESCLK1DYRK1ADYRK1B
SCHEMBL8648321 0.88 ALOX5 (0.62) ALOX5PTGESKMT2AHSD17B10ESR1
SCHEMBL10921870 0.88 ALOX5 (0.66) ALOX5PTGESKMT2AHSD17B10EGFR
SCHEMBL7541679 0.86 KMT2A (0.59) ALOX5PTGESKMT2AHSD17B10EGFR
SCHEMBL16660301 0.84 KMT2A (0.48) ALOX5CLK1DYRK1ADYRK1BKMT2A
SCHEMBL767398 0.84 ESR1 (0.49) ALOX5PTGESCLK1DYRK1ADYRK1B
SCHEMBL5081762 0.83 ALOX5 (0.71) ALOX5PTGESKMT2AHSD17B10ESR1
SCHEMBL29613809 0.83 ALOX5 (0.71) ALOX5PTGESKMT2AHSD17B10ESR1

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-104768914-A Method for producing 6,6'-(ethylenedioxy)di-2-naphthoic acid diester TEIJIN LTD 2015-07-08 CN disclosed