SCHEMBL5050430

SCHEMBL5050430

C=CCCCCCCCCC(=O)C(=O)CCC(=C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
ABCC4 O15439 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.43
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
CES2 O00748 3/20 0.43
CES1 P23141 3/20 0.43
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL656697 0.80 MAOA (0.42) MAPTABCC4L3MBTL1LMNATDP1
SCHEMBL5050428 0.80 MAPT (0.41) MAPTABCC4L3MBTL1LMNATDP1
SCHEMBL29217264 0.79 MAPT (0.71) MAPTABCC4L3MBTL1LMNATDP1
SCHEMBL12854830 0.77 MAPT (0.68) MAPTABCC4L3MBTL1LMNATDP1
SCHEMBL1678464 0.76 MAOA (0.45) MAPTLMNAALDH1A1POLBMAOA
SCHEMBL13070304 0.76 L3MBTL1 (0.46) MAPTL3MBTL1LMNATDP1HDAC3
SCHEMBL7217517 0.74 L3MBTL1 (0.54) MAPTL3MBTL1LMNATDP1CES2
SCHEMBL1899361 0.72 AKT1 (0.47) MAPTL3MBTL1LMNATDP1CES2
Benzoic Acid SCHEMBL10962811 0.72 L3MBTL1 (0.50) MAPTABCC4L3MBTL1LMNATDP1
SCHEMBL7984999 0.72 MAOA (0.52) MAPTL3MBTL1LMNATDP1CES2

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-1904557-A1 ALDEHYDE FUNCTIONAL SILOXANES Dow Corning Corporation (US) 2008-04-02 EP disclosed
WO-2007011465-A1 ALDEHYDE FUNCTIONAL SILOXANES DOW CORNING CORPORATION (US) 2007-01-25 WO disclosed