SCHEMBL3278957

SCHEMBL3278957

C=C(CC)C(=O)NNCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.44
HDAC1 Q13547 5/20 0.44
HDAC2 Q92769 4/20 0.44
EPHX1 P07099 7/20 0.44
HDAC8 Q9BY41 4/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
CASP2 P42575 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
NAAA Q02083 1/20 0.38

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
SCHEMBL3278185 0.98 HDAC3 (0.42) HDAC3HDAC1HDAC2EPHX1HDAC8
SCHEMBL3278928 0.92 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC11
SCHEMBL3279737 0.87 CASP2 (0.47) HDAC3HDAC1HDAC2EPHX1HDAC8
SCHEMBL3282425 0.87 HDAC3 (0.43) HDAC3HDAC1HDAC2EPHX1HDAC8
SCHEMBL3286700 0.85 HDAC3 (0.41) HDAC3HDAC1HDAC2EPHX1HDAC8
SCHEMBL3280451 0.85 CASP2 (0.44) HDAC3HDAC1HDAC2EPHX1HDAC8
SCHEMBL3280459 0.84 HDAC3 (0.38) HDAC3HDAC1HDAC2HDAC8HDAC11
SCHEMBL179753 0.83 EPHX1 (0.45) HDAC3HDAC1HDAC2EPHX1HDAC8
SCHEMBL28502150 0.83 EPHX1 (0.45) HDAC3HDAC1HDAC2EPHX1HDAC8
SCHEMBL545376 0.81 EPHX1 (0.57) EPHX1ZDHHC20ZDHHC2CASP2NAAA

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