SCHEMBL3278604

SCHEMBL3278604

CCC=C(C)C(=O)NNCCC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 10/20 0.40
HDAC1 Q13547 10/20 0.40
HDAC2 Q92769 10/20 0.40
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HDAC8 Q9BY41 3/20 0.33
HDAC11 Q96DB2 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC4 P56524 1/20 0.33
NCOR2 Q9Y618 2/20 0.32
HDAC10 Q969S8 1/20 0.31
PAOX Q6QHF9 1/20 0.31

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
SCHEMBL3278870 0.89 HDAC3 (0.42) HDAC3HDAC1HDAC2HDAC8HDAC11
SCHEMBL3280672 0.87 HDAC1 (0.44) HDAC3HDAC1HDAC2HDAC8HDAC11
SCHEMBL3283384 0.86 HDAC3 (0.39) HDAC3HDAC1HDAC2LMNAHTT
SCHEMBL3279718 0.85 HDAC1 (0.45) HDAC3HDAC1HDAC2HDAC8HDAC11
SCHEMBL3279932 0.83
SCHEMBL3286156 0.83 HDAC3 (0.42) HDAC3HDAC1HDAC2LMNAHTT
SCHEMBL3279920 0.83 HDAC3 (0.37) HDAC3HDAC1HDAC2LMNAHTT
SCHEMBL10338007 0.79 MMP1 (0.39) LMNAL3MBTL1PAOX
SCHEMBL10338006 0.79 MMP1 (0.39) LMNAL3MBTL1PAOX
SCHEMBL3279366 0.77 KDM4E (0.32)

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