SCHEMBL3280459

SCHEMBL3280459

C=C(CC)C(=O)NNCCC

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 12/20 0.38
HDAC1 Q13547 11/20 0.38
HDAC2 Q92769 11/20 0.38
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HDAC8 Q9BY41 4/20 0.34
HDAC6 Q9UBN7 1/20 0.34
NCOR2 Q9Y618 3/20 0.33
HDAC4 P56524 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
CA1 P00915 1/20 0.31
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP9 P14780 1/20 0.30

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
SCHEMBL3278928 0.88 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3278185 0.86 HDAC3 (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3279648 0.85 HDAC3 (0.37) HDAC3HDAC1HDAC2LMNAHTT
SCHEMBL3278957 0.84 HDAC3 (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL1880926 0.82 HDAC3 (0.31) HDAC3HDAC8
SCHEMBL3279664 0.82 CES1 (0.38) HDAC3HDAC1HDAC2LMNAHTT
SCHEMBL3279670 0.80 HDAC3 (0.39) HDAC3HDAC1HDAC2LMNAHTT
Hydrochloric Acid SCHEMBL329123 0.78 HDAC3 (0.38) HDAC3HDAC1HDAC2LMNAHTT
SCHEMBL2560023 0.77 MMP1 (0.41) MMP1MMP2MMP3MMP9
Hydrochloric Acid SCHEMBL4867848 0.77 HDAC3 (0.37) HDAC3HDAC1HDAC2LMNAHTT

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 8 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-103958591-A Rubber composition for tyre, and pneumatic tyre SUMITOMO RUBBER IND 2014-07-30 CN disclosed
CN-102863666-A Tire rubber composition and pneumatic tire SUMITOMO RUBBER IND 2013-01-09 CN disclosed
US-7700540-B2 Hard surface cleaning composition THE CLOROX COMPANY (US) 2010-04-20 US disclosed
CN-1330678-C Method for preparing modified dienopolymer rubber SUMITOMO CHEMICAL CO (JP) 2007-08-08 CN disclosed
US-20070099816-A1 Hard Surface Cleaning Composition THE CLOROX COMPANY 2007-05-03 US disclosed
CN-1530379-A Method for preparing modified dienopolymer rubber 住友化学工业株式会社 2004-09-22 CN disclosed