SCHEMBL3283264

SCHEMBL3283264

C=C(C)C(=O)NNCCCC

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 18/20 0.42
HDAC1 Q13547 15/20 0.42
HDAC2 Q92769 15/20 0.42
HDAC8 Q9BY41 5/20 0.42
HDAC6 Q9UBN7 2/20 0.42
NCOR2 Q9Y618 2/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
ALOX15 P16050 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
Hydrochloric Acid SCHEMBL6811242 0.98 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3279962 0.94 HDAC1 (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL28502150 0.92 EPHX1 (0.45) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL179753 0.92 EPHX1 (0.45) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3279670 0.87 HDAC3 (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6
Hydrochloric Acid SCHEMBL329123 0.85 HDAC3 (0.38) HDAC3HDAC1HDAC2HDAC8HDAC6
Hydrochloric Acid SCHEMBL4867848 0.83 HDAC3 (0.37) HDAC3HDAC1HDAC2HDAC8HDAC6
Hydrochloric Acid SCHEMBL10949722 0.82 TGFBR1 (0.36)
SCHEMBL3278928 0.82 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
Trimethylammonium SCHEMBL27626825 0.82 HDAC3 (0.36) HDAC3HDAC1HDAC2HDAC8HDAC6

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 6 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
CN-111491982-A Nitric oxide-releasing hyperbranched compounds as antibacterial scaffolds and methods related thereto 北卡罗来纳大学查佩尔希尔分校 2020-08-04 CN disclosed
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
US-4120725-A POLYMERS OF ACRYLIC AMIDES AND OF VINYL OR ALLYL ALCOHOLS, VINYL IMIDES OR AMIDES OR VINYL MORPHOLINE FUJI PHOTO FILM CO., LTD. (JP) 1978-10-17 US disclosed