SCHEMBL3286156

SCHEMBL3286156

CC=C(C)C(=O)NNCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 15/20 0.42
HDAC1 Q13547 14/20 0.42
HDAC2 Q92769 14/20 0.42
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HDAC8 Q9BY41 4/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC11 Q96DB2 2/20 0.34
HDAC4 P56524 1/20 0.34
NCOR2 Q9Y618 4/20 0.33
HDAC10 Q969S8 1/20 0.33
PAOX Q6QHF9 1/20 0.32
ADH1B P00325 1/20 0.31
ADH1A P07327 1/20 0.31
ADH7 P40394 1/20 0.31
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP9 P14780 1/20 0.30

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
SCHEMBL3282859 0.88 HDAC3 (0.45) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3279643 0.86 HDAC1 (0.46) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL18950163 0.84 HDAC1 (0.47) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3280158 0.84 HDAC1 (0.47) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3278604 0.83 HDAC3 (0.40) HDAC3HDAC1HDAC2LMNAHTT
SCHEMBL3286238 0.82
SCHEMBL3283384 0.82 HDAC3 (0.39) HDAC3HDAC1HDAC2LMNAHTT
SCHEMBL3279920 0.79 HDAC3 (0.37) HDAC3HDAC1HDAC2LMNAHTT
SCHEMBL2552858 0.77 MMP1 (0.41) L3MBTL1PAOXMMP1MMP2MMP3
SCHEMBL2552861 0.77 MMP1 (0.41) L3MBTL1PAOXMMP1MMP2MMP3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700540-B2 Hard surface cleaning composition THE CLOROX COMPANY (US) 2010-04-20 US claimed
US-20070099816-A1 Hard Surface Cleaning Composition THE CLOROX COMPANY 2007-05-03 US claimed
US-7700540-B2 Hard surface cleaning composition THE CLOROX COMPANY (US) 2010-04-20 US disclosed
US-20070099816-A1 Hard Surface Cleaning Composition THE CLOROX COMPANY 2007-05-03 US disclosed