SCHEMBL3280672

SCHEMBL3280672

CCC=C(C)C(=O)NNCCCCC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.44
HDAC2 Q92769 7/20 0.44
HDAC3 O15379 7/20 0.44
HDAC8 Q9BY41 5/20 0.38
EPHX1 P07099 6/20 0.38
HDAC11 Q96DB2 4/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC10 Q969S8 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH4 P08319 1/20 0.35
ADH7 P40394 1/20 0.35

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
SCHEMBL3279718 0.98 HDAC1 (0.45) HDAC1HDAC2HDAC3HDAC8EPHX1
SCHEMBL3278870 0.95 HDAC3 (0.42) HDAC1HDAC2HDAC3HDAC8HDAC11
SCHEMBL3279967 0.88 HDAC1 (0.43) HDAC1HDAC2HDAC3HDAC8EPHX1
SCHEMBL3280868 0.88 HDAC1 (0.43) HDAC1HDAC2HDAC3HDAC8EPHX1
SCHEMBL3278604 0.87 HDAC3 (0.40) HDAC1HDAC2HDAC3HDAC8HDAC11
SCHEMBL3280465 0.86 HDAC1 (0.44) HDAC1HDAC2HDAC3HDAC8EPHX1
SCHEMBL3280297 0.86 HDAC1 (0.44) HDAC1HDAC2HDAC3HDAC8EPHX1
SCHEMBL3279643 0.85 HDAC1 (0.46) HDAC1HDAC2HDAC3HDAC8EPHX1
SCHEMBL3280158 0.84 HDAC1 (0.47) HDAC1HDAC2HDAC3HDAC8EPHX1
SCHEMBL18950163 0.84 HDAC1 (0.47) HDAC1HDAC2HDAC3HDAC8EPHX1

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