SCHEMBL3279962

SCHEMBL3279962

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.44
HDAC2 Q92769 8/20 0.44
HDAC3 O15379 7/20 0.44
EPHX1 P07099 6/20 0.42
HDAC8 Q9BY41 4/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TSHR P16473 2/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
CASP2 P42575 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
SCHEMBL179753 0.98 EPHX1 (0.45) HDAC1HDAC2HDAC3EPHX1HDAC8
SCHEMBL28502150 0.98 EPHX1 (0.45) HDAC1HDAC2HDAC3EPHX1HDAC8
SCHEMBL3283264 0.94 HDAC3 (0.42) HDAC1HDAC2HDAC3HDAC8HDAC11
Hydrochloric Acid SCHEMBL6811242 0.92 HDAC3 (0.41) HDAC1HDAC2HDAC3HDAC8HDAC11
SCHEMBL3279670 0.85 HDAC3 (0.39) HDAC1HDAC2HDAC3HDAC8HDAC11
Hydrochloric Acid SCHEMBL329123 0.83 HDAC3 (0.38) HDAC1HDAC2HDAC3HDAC8HDAC11
SCHEMBL3278185 0.82 HDAC3 (0.42) HDAC1HDAC2HDAC3EPHX1HDAC8
Hydrochloric Acid SCHEMBL4867848 0.82 HDAC3 (0.37) HDAC1HDAC2HDAC3HDAC8HDAC11
SCHEMBL3280451 0.81 CASP2 (0.44) HDAC1HDAC2HDAC3EPHX1HDAC8
SCHEMBL3278957 0.81 HDAC3 (0.44) HDAC1HDAC2HDAC3EPHX1HDAC8

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 5 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
CN-101287536-A Polyelectrolyte-coated ion-exchange particles APPLERA CORP (US) 2008-10-15 CN disclosed
US-20070099816-A1 Hard Surface Cleaning Composition THE CLOROX COMPANY 2007-05-03 US disclosed