SCHEMBL1077508

SCHEMBL1077508

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA2 P00918 1/20 0.31
MAPK1 P28482 1/20 0.31
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 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 0.88 CA2 (0.32) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL157028 0.85
SCHEMBL1076804 0.84 MME (0.32) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1078687 0.84 TSHR (0.34) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL21519882 0.83 TDP1 (0.38) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL9153552 0.83 TDP1 (0.38) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL487333 0.83 TDP1 (0.38) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL21219177 0.83 TDP1 (0.38) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL21225948 0.83 TDP1 (0.38) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3182058 0.83 TDP1 (0.38) CHRM1AKR1A1CHRM3HTR2AHTR2C

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
EP-2176315-A1 CURABLE COMPOSITIONS COMPOSED OF SILANES WITH TWO HYDROLYZABLE GROUPS Henkel AG & Co. KGaA (DE) 2010-04-21 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-2009021928-A1 CURABLE COMPOSITIONS COMPOSED OF SILANES WITH TWO HYDROLYZABLE GROUPS HENKEL AG & CO. KGAA (DE) 2009-02-19 WO 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