SCHEMBL2672035

SCHEMBL2672035

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.39
CHRM4 P08173 3/20 0.39
CHRM1 P11229 3/20 0.39
CHRM3 P20309 3/20 0.39
MAOB P27338 3/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP2D6 P10635 2/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SCN1A P35498 2/20 0.33
SCN2A Q99250 2/20 0.33
SCN3A Q9NY46 2/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL2671503 0.84 CHRM2 (0.42) CHRM2CHRM4CHRM1CHRM3MAOB
SCHEMBL2672084 0.83 ALDH1A1 (0.37) NPSR1CYP3A4ALDH1A1
SCHEMBL17106146 0.80 CYP3A4 (0.32) NPSR1CYP3A4
SCHEMBL2156583 0.79 PAOX (0.34) CHRM2CHRM4CHRM1CHRM3MAOB
SCHEMBL2671413 0.76 CYP3A4 (0.34) NPSR1CYP3A4
SCHEMBL17105986 0.73 NFKB1 (0.37) NPSR1CYP3A4ALDH1A1
SCHEMBL17106049 0.73 CA2 (0.40) NPSR1CYP3A4ALDH1A1
SCHEMBL2671345 0.72 TSHR (0.32)
SCHEMBL1361434 0.71 PAOX (0.34) CHRM2CHRM4CHRM1CHRM3MAOB
SCHEMBL2671888 0.71 CYP3A4 (0.31) NPSR1CYP3A4

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 5 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-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