SCHEMBL1360601

SCHEMBL1360601

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
SCN1A P35498 2/20 0.34
SCN2A Q99250 2/20 0.34
SCN3A Q9NY46 2/20 0.34
FFAR3 O14843 2/20 0.33
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
ALDH1A1 P00352 3/20 0.33
HRH3 Q9Y5N1 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP3A4 P08684 2/20 0.33
BCHE P06276 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
SCHEMBL1359966 0.84 CA1 (0.41) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL1361434 0.84 PAOX (0.34) PAOXAPOBEC3AAPOBEC3GCHRM2CHRM4
SCHEMBL6156183 0.81 HDAC3 (0.43) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL16085979 0.78 CA1 (0.45) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL1361296 0.77 HDAC3 (0.43) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL16085935 0.76 HAO1 (0.49) ALDH1A1KMT2A
SCHEMBL16086040 0.75 HAO1 (0.51) KMT2A
SCHEMBL16085927 0.74 CA1 (0.45) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL16085994 0.73 HAO1 (0.49) KMT2A
SCHEMBL8704732 0.73 ALDH1A1 (0.41) ALDH1A1

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