SCHEMBL4544093

SCHEMBL4544093

CCC(CC(=O)CC=O)ONc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.36
LMNA P02545 5/20 0.36
ALDH1A1 P00352 2/20 0.36
PKM P14618 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSK P43235 1/20 0.34
KLK7 P49862 2/20 0.34
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32

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
SCHEMBL9507563 0.83 LMNA (0.40) GAALMNAALDH1A1HPGDHDAC3
SCHEMBL2436746 0.74 MAPT (0.39) GAALMNAALDH1A1PKMMEN1
SCHEMBL2948740 0.74 MAPT (0.39) GAALMNAALDH1A1PKMMEN1
SCHEMBL5947511 0.69 LMNA (0.44) GAALMNAALDH1A1MEN1KMT2A
SCHEMBL5530844 0.69 NPSR1 (0.37) GAALMNAALDH1A1PKMMEN1
SCHEMBL7679994 0.69 CYP1A2 (0.37) ALDH1A1MEN1KMT2AMAPTHDAC3
SCHEMBL5531985 0.68 KLK7 (0.46) GAALMNAALDH1A1PKMMEN1
SCHEMBL27509049 0.67 LMNA (0.42) GAALMNAALDH1A1PKMMEN1
SCHEMBL6425446 0.65 ERCC1 (0.42) GAALMNAALDH1A1PKMMEN1
SCHEMBL809583 0.65 GAA (0.41) GAALMNAALDH1A1PKMMEN1

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-2009069314-A2 PIGMENT COMPOSITION, AND POLYMERIZED TONER TOYO INK MFG. CO., LTD. (JP) 2009-06-04 WO disclosed