SCHEMBL5050428

SCHEMBL5050428

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
ABCC4 O15439 1/20 0.41
MAOA P21397 4/20 0.39
MAOB P27338 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
AKT1 P31749 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL13070304 0.87 L3MBTL1 (0.46) MAPTMAOAMAOBL3MBTL1TDP1
SCHEMBL2243335 0.87 MAOA (0.44) MAPTMAOAMAOBL3MBTL1TDP1
SCHEMBL656697 0.81 MAOA (0.42) MAPTABCC4MAOAMAOBL3MBTL1
SCHEMBL1678464 0.81 MAOA (0.45) MAPTMAOAMAOBLMNAALDH1A1
SCHEMBL5050430 0.80 MAPT (0.47) MAPTABCC4MAOAMAOBL3MBTL1
SCHEMBL29217264 0.73 MAPT (0.71) MAPTABCC4L3MBTL1TDP1LMNA
SCHEMBL28345621 0.72 MAOA (0.39) MAOAMAOBTDP1ALDH1A1KMT2A
SCHEMBL7551879 0.71 TDP1 (0.74) MAPTL3MBTL1TDP1LMNAALDH1A1
SCHEMBL12854830 0.71 MAPT (0.68) MAPTABCC4L3MBTL1TDP1LMNA
SCHEMBL28052282 0.71 TDP1 (0.74) MAPTL3MBTL1TDP1LMNAALDH1A1

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