SCHEMBL8899562

SCHEMBL8899562

CCCCN(OCc1ccccc1)C(=O)Nc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.49
HDAC3 O15379 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
ALDH1A1 P00352 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
EGFR P00533 2/20 0.46
ICMT O60725 1/20 0.45
ALB P02768 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL8900123 0.96 ICMT (0.50) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL8900151 0.95 ICMT (0.52) ALDH1A1ICMTALBL3MBTL1
SCHEMBL8898517 0.95 ICMT (0.52) ALDH1A1ICMTALBL3MBTL1
SCHEMBL7615671 0.88 TRPV1 (0.50) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL23616321 0.81 L3MBTL1 (0.49) ALDH1A1L3MBTL1
SCHEMBL9781730 0.81 L3MBTL1 (0.50) MEN1KMT2AL3MBTL1
SCHEMBL7614909 0.80 HDAC1 (0.48) HDAC6HDAC1ALDH1A1NPSR1MEN1
SCHEMBL8900211 0.79 L3MBTL1 (0.52) ALDH1A1L3MBTL1
SCHEMBL9359520 0.78
SCHEMBL2448810 0.76 HDAC6 (0.65) HDAC6HDAC3HDAC1HDAC2HDAC4

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-0777471-A1 INHIBITION OF LEUKOTRIENE BIOSYNTHESIS WITH UREA DERIVATIVES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-06-11 EP disclosed
WO-1996003983-A1 INHIBITION OF LEUKOTRIENE BIOSYNTHESIS WITH UREA DERIVATIVES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-02-15 WO disclosed