SCHEMBL27748631

SCHEMBL27748631

CCCCCCCCCCCCCCCCCC(=O)c1cccc(-c2ccccc2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.59
HDAC4 P56524 2/20 0.59
HDAC1 Q13547 2/20 0.59
HDAC7 Q8WUI4 2/20 0.59
HDAC2 Q92769 2/20 0.59
HDAC10 Q969S8 2/20 0.59
HDAC11 Q96DB2 2/20 0.59
HDAC8 Q9BY41 2/20 0.59
HDAC6 Q9UBN7 2/20 0.59
HDAC9 Q9UKV0 2/20 0.59
HDAC5 Q9UQL6 2/20 0.59
L3MBTL1 Q9Y468 3/20 0.58
MAPT P10636 2/20 0.58
LMNA P02545 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
CES2 O00748 2/20 0.55
CES1 P23141 2/20 0.55
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ERCC5 P28715 1/20 0.54

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
SCHEMBL5929944 0.87 SMN1; SMN2 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13085731 0.87 HSD17B3 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3845268 0.86 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9229529 0.85 L3MBTL1 (0.74) HDAC3HDAC4HDAC1HDAC7HDAC2
Valerophenone SCHEMBL6819806 0.85 L3MBTL1 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10282853 0.85 L3MBTL1 (0.74) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13670588 0.85 L3MBTL1 (0.74) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL964590 0.85 L3MBTL1 (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL962630 0.85 L3MBTL1 (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2125312 0.85 L3MBTL1 (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2

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-101351449-A Nitroxyl compound, and polymerization inhibitor composition using same ADEKA CORP (JP) 2009-01-21 CN disclosed