SCHEMBL1076804

SCHEMBL1076804

CC(C)O[Al].CCC(C(C)=O)C(=O)O.CCC(C(C)=O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.32
ACE P12821 1/20 0.32
CPA1 P15085 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
TSHR P16473 1/20 0.32
TP53 P04637 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CA2 P00918 1/20 0.30
MAPK1 P28482 1/20 0.30
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HDAC1 Q13547 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
SCHEMBL1077471 0.86 CA2 (0.32) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL1077508 0.84 CHRM1 (0.36) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL157028 0.83
SCHEMBL2231174 0.83 TSHR (0.32) TSHRTP53MEN1KMT2ACA2
SCHEMBL8714232 0.83 TSHR (0.32) TSHRTP53MEN1KMT2ACA2
SCHEMBL1078687 0.82 TSHR (0.34) TSHRCHRM1AKR1A1CHRM3HTR2A
SCHEMBL21519882 0.81 TDP1 (0.38) TP53MEN1KMT2ACA2MAPK1
SCHEMBL21219177 0.81 TDP1 (0.38) TP53MEN1KMT2ACA2MAPK1
SCHEMBL21225948 0.81 TDP1 (0.38) TP53MEN1KMT2ACA2MAPK1
SCHEMBL1157667 0.81 TDP1 (0.38) TP53MEN1KMT2ACA2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2178963-B1 SILANE-CROSSLINKING ADHESIVE OR SEALANT COMPRISING N-SILYLALKYLAMIDES AND USE THEREOF HENKEL AG & CO KGAA (DE) 2013-07-17 EP disclosed
EP-2076568-B1 COMPOSITIONS CONSISTING OF PARTIALLY SILYL-TERMINATED POLYMERS HENKEL AG & CO KGAA (DE) 2012-05-23 EP disclosed
EP-2449033-A2 CURABLE COMPOSITION HAVING A SILANE-MODIFIED REACTIVE THINNER Henkel AG & Co. KGaA (DE) 2012-05-09 EP disclosed
EP-2176315-B1 CURABLE COMPOSITIONS COMPOSED OF SILANES WITH TWO HYDROLYZABLE GROUPS HENKEL AG & CO KGAA (DE) 2011-03-30 EP disclosed
WO-2011000843-A2 CURABLE COMPOSITION HAVING A SILANE-MODIFIED REACTIVE THINNER HENKEL AG & CO. KGAA (DE) 2011-01-06 WO disclosed
EP-2178963-A1 SILANE-CROSSLINKING ADHESIVE OR SEALANT COMPRISING N-SILYLALKYLAMIDES AND USE THEREOF Henkel AG & Co. KGaA (DE) 2010-04-28 EP disclosed
WO-2010004038-A1 CURABLE COMPOSITIONS HENKEL AG & CO. KGAA (DE) 2010-01-14 WO disclosed
EP-2076568-A2 COMPOSITIONS CONSISTING OF PARTIALLY SILYL-TERMINATED POLYMERS Henkel AG & Co. KGaA (DE) 2009-07-08 EP disclosed
WO-2009022012-A1 SILANE-CROSSLINKING ADHESIVE OR SEALANT COMPRISING N-SILYLALKYLAMIDES AND USE THEREOF HENKEL AG & CO. KGAA (DE) 2009-02-19 WO disclosed
WO-2008043735-A2 COMPOSITIONS CONSISTING OF PARTIALLY SILYL-TERMINATED POLYMERS HENKEL AG & CO. KGAA (DE) 2008-04-17 WO disclosed
US-5716745-A INTERLAYER COMPRISE AN ALKOXY METALLIC CHELATE COMPOUNDS OF TITANIUM OR ALUMINUM HAVING A CHELATE GROUP OF ACETOACETIC ESTER OR DIKETONE AND AN ORGANOSILANE COMPOUND HAVING AT END A METHACRYLOXY OR AMINO GROUP; EXPOSURE, REVERSE DEVELOPMENT KONICA CORPORATION (JP) 1998-02-10 US disclosed
EP-0671663-A1 Electrophotographic photoreceptor KONICA CORPORATION (JP) 1995-09-13 EP disclosed