SCHEMBL7109810

SCHEMBL7109810

Nc1ccc(NC(=O)CCCC(=O)O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.70
ALDH1A1 P00352 2/20 0.70
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
MAPT P10636 2/20 0.62
L3MBTL1 Q9Y468 3/20 0.59
GAA P10253 3/20 0.59
NPSR1 Q6W5P4 1/20 0.59
HSD17B10 Q99714 1/20 0.59
CYP1A1 P04798 1/20 0.56
HDAC3 O15379 2/20 0.54
HDAC4 P56524 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC7 Q8WUI4 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC10 Q969S8 2/20 0.54
HDAC11 Q96DB2 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
HDAC9 Q9UKV0 2/20 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
SCHEMBL7107371 0.91 POLB (0.82) POLBALDH1A1MEN1KMT2AMAPT
SCHEMBL11616800 0.89 CYP1A1 (0.70) POLBALDH1A1MEN1KMT2AMAPT
SCHEMBL18660182 0.89 MEN1 (0.62) MEN1KMT2AMAPTL3MBTL1HDAC3
SCHEMBL31473065 0.87 HDAC1 (0.63) MEN1KMT2AMAPTL3MBTL1HDAC3
SCHEMBL18660183 0.87 HDAC1 (0.63) MEN1KMT2AMAPTL3MBTL1HDAC3
SCHEMBL15197080 0.85 MAPT (0.64) POLBMEN1KMT2AMAPTL3MBTL1
SCHEMBL8244867 0.84 HDAC1 (0.74) POLBMEN1KMT2AHDAC3HDAC4
SCHEMBL1064492 0.84 HDAC1 (0.74) POLBMEN1KMT2AHDAC3HDAC4
SCHEMBL15653036 0.84 LTA4H (0.56) POLBALDH1A1MEN1KMT2AMAPT
SCHEMBL3152473 0.84 CYP1A1 (0.79) POLBALDH1A1MEN1KMT2AMAPT

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
EP-1348700-A2 Composition and method for dyeing dye-susceptible material Wella Aktiengesellschaft (DE) 2003-10-01 EP disclosed