SCHEMBL3279664

SCHEMBL3279664

C=C(CCCC)C(=O)NNCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.38
CES2 O00748 1/20 0.38
HDAC3 O15379 9/20 0.36
HDAC1 Q13547 8/20 0.36
HDAC2 Q92769 8/20 0.36
ALDH1A1 P00352 3/20 0.35
TP53 P04637 1/20 0.35
CA1 P00915 1/20 0.34
EPHX1 P07099 1/20 0.34
MAPT P10636 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL3286089 0.92 HDAC3 (0.41) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL3286700 0.91 HDAC3 (0.41) HDAC3HDAC1HDAC2CA1EPHX1
SCHEMBL3282425 0.89 HDAC3 (0.43) HDAC3HDAC1HDAC2CA1EPHX1
SCHEMBL3279648 0.88 HDAC3 (0.37) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL3279306 0.86 CES1 (0.39) CES1CES2ALDH1A1TP53CA1
SCHEMBL3279719 0.85 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3280451 0.83 CASP2 (0.44) HDAC3HDAC1HDAC2CA1EPHX1
SCHEMBL3280459 0.82 HDAC3 (0.38) HDAC3HDAC1HDAC2CA1HDAC8
SCHEMBL3279737 0.81 CASP2 (0.47) HDAC3HDAC1HDAC2CA1EPHX1
SCHEMBL3283301 0.80 CES1 (0.41) CES1CES2ALDH1A1TP53CA1

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 10 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-102863666-B Rubber composition for tire and pneumatic tyre SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2016-03-02 CN disclosed
CN-103958591-B Rubber composition for tire and pneumatic tyre SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2016-02-03 CN disclosed
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