SCHEMBL1361434

SCHEMBL1361434

CCCC(=O)CC(=O)[O-].CCCC(=O)CC(=O)[O-].CCN(CC)CCCO[Zr+2]OCCCN(CC)CC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.34
FFAR3 O14843 2/20 0.32
HDAC3 O15379 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
MAOB P27338 1/20 0.32
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
SCN1A P35498 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL453162 0.85 CA1 (0.39) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL1360601 0.84 PAOX (0.35) PAOXFFAR3HDAC3HDAC1HDAC2
SCHEMBL29408744 0.83 CA1 (0.38) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL17106148 0.81 HDAC3 (0.41) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL17105987 0.79 CA1 (0.44) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL17106051 0.77 HAO1 (0.47) CA1
SCHEMBL1360062 0.76 HDAC3 (0.43) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL17106079 0.76 HAO1 (0.50)
SCHEMBL17106090 0.75 CA1 (0.44) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL17106071 0.74 HAO1 (0.47) CA1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563675-B2 Curable compositions composed of silanes with two hydrolyzable groups HENKEL AG & CO. KGAA (DE) 2013-10-22 US disclosed
US-8450411-B2 Curable composition having a silane-modified reactive thinner HENKEL AG & CO. KGAA (DE) 2013-05-28 US disclosed
US-20120108730-A1 CURABLE COMPOSITION HAVING A SILANE-MODIFIED REACTIVE THINNER HENKEL AG & CO. KGAA (DE) 2012-05-03 US disclosed
US-8067508-B2 Compositions consisting of partially silyl-terminated polymers HENKEL AG & CO. KGAA (DE) 2011-11-29 US disclosed
US-20100204387-A1 CURABLE COMPOSITIONS COMPOSED OF SILANES WITH TWO HYDROLYZABLE GROUPS HENKEL AG & CO. KGAA (DE) 2010-08-12 US disclosed
US-20100143712-A1 SILANE-CROSSLINKING ADHESIVE OR SEALANT COMPRISING N-SILYLALKYLAMIDES AND USE THEREOF HENKEL AG & CO. KGAA (DE) 2010-06-10 US disclosed
US-20100081757-A1 COMPOSITIONS CONSISTING OF PARTIALLY SILYL-TERMINATED POLYMERS HENKEL AG & CO. KGAA (DE) 2010-04-01 US disclosed