SCHEMBL179753

SCHEMBL179753

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.45
HDAC1 Q13547 6/20 0.45
HDAC2 Q92769 5/20 0.45
HDAC3 O15379 4/20 0.45
HDAC8 Q9BY41 3/20 0.43
HDAC11 Q96DB2 3/20 0.43
TSHR P16473 2/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ZDHHC20 Q5W0Z9 1/20 0.43
ZDHHC2 Q9UIJ5 1/20 0.43
CASP2 P42575 1/20 0.41
FAAH O00519 1/20 0.40
NAAA Q02083 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
SCHEMBL28502150 1.00 EPHX1 (0.45) EPHX1HDAC1HDAC2HDAC3HDAC8
SCHEMBL3279962 0.98 HDAC1 (0.44) EPHX1HDAC1HDAC2HDAC3HDAC8
SCHEMBL3283264 0.92 HDAC3 (0.42) HDAC1HDAC2HDAC3HDAC8HDAC11
Hydrochloric Acid SCHEMBL6811242 0.90 HDAC3 (0.41) HDAC1HDAC2HDAC3HDAC8HDAC11
SCHEMBL3279670 0.84 HDAC3 (0.39) HDAC1HDAC2HDAC3HDAC8HDAC11
SCHEMBL3278957 0.83 HDAC3 (0.44) EPHX1HDAC1HDAC2HDAC3HDAC8
SCHEMBL18950108 0.82 HDAC1 (0.41) EPHX1HDAC1HDAC2HDAC3HDAC8
Hydrochloric Acid SCHEMBL329123 0.82 HDAC3 (0.38) HDAC1HDAC2HDAC3HDAC8HDAC11
SCHEMBL3282425 0.81 HDAC3 (0.43) EPHX1HDAC1HDAC2HDAC3HDAC8
SCHEMBL3279737 0.81 CASP2 (0.47) EPHX1HDAC1HDAC2HDAC3HDAC8

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
EP-1006133-B2 POLYURETHANE FOAM, PROCESS FOR PRODUCING THE SAME, AND FOAM FORMING COMPOSITION SANYO CHEMICAL IND LTD (JP) 2012-01-04 EP disclosed
US-7700540-B2 Hard surface cleaning composition THE CLOROX COMPANY (US) 2010-04-20 US disclosed
EP-1006133-B9 POLYURETHANE FOAM, PROCESS FOR PRODUCING THE SAME, AND FOAM FORMING COMPOSITION SANYO CHEMICAL IND LTD (JP) 2008-01-09 EP disclosed
EP-1006133-B1 POLYURETHANE FOAM, PROCESS FOR PRODUCING THE SAME, AND FOAM FORMING COMPOSITION SANYO CHEMICAL IND LTD (JP) 2007-11-21 EP disclosed
US-20070099816-A1 Hard Surface Cleaning Composition THE CLOROX COMPANY 2007-05-03 US disclosed
US-6455606-B1 POLYURETHANE FOAM HAVING A STRUCTURE IN WHICH POLYMER CHAINS FORMED BY AN ADDITION-POLYMERIZATION REACTION AND POLYURETHANE CHAIN ARE CROSSLINKED TO EACH OTHER, EXCELLENT MECHANICAL PROPERTIES, DIMENSIONAL STABILITY SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2002-09-24 US disclosed
US-20020052425-A1 POLYURETHANE FOAM, PROCESS FOR PRODUCING THE SAME, AND FOAM FORMING COMPOSITION SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2002-05-02 US disclosed
EP-1006133-A1 POLYURETHANE FOAM, PROCESS FOR PRODUCING THE SAME, AND FOAM FORMING COMPOSITION SANYO CHEMICAL INDUSTRIES, Ltd. (JP) 2000-06-07 EP disclosed