SCHEMBL1360064

SCHEMBL1360064

CCCC(=O)CC(=O)[O-].CCCC(=O)CC(=O)[O-].CCCCC(CC)CO[Zr+2]OCC(CC)CCCC

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.50
CYP3A4 P08684 6/20 0.47
TSHR P16473 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 5/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP14 P50281 1/20 0.39
RECQL P46063 1/20 0.37
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
HAO1 Q9UJM8 1/20 0.34
CA1 P00915 1/20 0.34

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
SCHEMBL2671793 0.86 CA2 (0.53) CA2CYP3A4TSHRTDP1ATM
SCHEMBL1361789 0.83 CA2 (0.50) CA2CYP3A4TSHRTDP1ATM
SCHEMBL1360823 0.79 FFAR3 (0.38) CA2HAO1CA1
SCHEMBL1360062 0.78 HDAC3 (0.43) CA2CYP3A4TSHRALDH1A1HAO1
SCHEMBL453162 0.77 CA1 (0.39) CA2ATMALDH1A1HAO1CA1
SCHEMBL29894074 0.77 CA2 (0.71) CA2CYP3A4TSHRTDP1ATM
SCHEMBL29408744 0.76 CA1 (0.38) CA2ATMALDH1A1HAO1CA1
SCHEMBL2671210 0.76 CYP3A4 (0.44) CA2CYP3A4TSHRTDP1ATM
SCHEMBL17106148 0.74 HDAC3 (0.41) ALDH1A1HAO1CA1
SCHEMBL6908161 0.73 CYP3A4 (0.41) CA2CYP3A4TSHRTDP1ATM

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