SCHEMBL3282425

SCHEMBL3282425

C=C(CCCC)C(=O)NNCCCCCC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.43
HDAC1 Q13547 4/20 0.43
HDAC2 Q92769 3/20 0.43
CASP2 P42575 1/20 0.43
EPHX1 P07099 6/20 0.42
CA2 P00918 3/20 0.42
CA1 P00915 2/20 0.42
HDAC8 Q9BY41 3/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
NAAA Q02083 1/20 0.41
PLA2G2A P14555 1/20 0.40
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
SCHEMBL3286700 0.98 HDAC3 (0.41) HDAC3HDAC1HDAC2CASP2EPHX1
SCHEMBL3279737 0.93 CASP2 (0.47) HDAC3HDAC1HDAC2CASP2EPHX1
SCHEMBL3286089 0.93 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC11
SCHEMBL3280451 0.91 CASP2 (0.44) HDAC3HDAC1HDAC2CASP2EPHX1
SCHEMBL3279664 0.89 CES1 (0.38) HDAC3HDAC1HDAC2CASP2EPHX1
SCHEMBL3278957 0.87 HDAC3 (0.44) HDAC3HDAC1HDAC2CASP2EPHX1
SCHEMBL3278185 0.85 HDAC3 (0.42) HDAC3HDAC1HDAC2CASP2EPHX1
SCHEMBL3279719 0.85 HDAC3 (0.41) HDAC3HDAC1HDAC2CASP2HDAC8
SCHEMBL3279306 0.83 CES1 (0.39) CA1
SCHEMBL179753 0.81 EPHX1 (0.45) HDAC3HDAC1HDAC2CASP2EPHX1

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