SCHEMBL2671503

SCHEMBL2671503

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.42
CHRM1 P11229 5/20 0.42
CHRM3 P20309 5/20 0.42
CHRM4 P08173 4/20 0.42
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP2D6 P10635 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAOB P27338 2/20 0.37
SCN1A P35498 2/20 0.36
SCN2A Q99250 2/20 0.36
SCN3A Q9NY46 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35

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
SCHEMBL2672035 0.84 CHRM2 (0.39) CHRM2CHRM1CHRM3CHRM4MEN1
SCHEMBL819567 0.83 ALDH1A1 (0.42) CYP2D6LMNACYP1A2CYP3A4ALDH1A1
SCHEMBL2156583 0.80 PAOX (0.34) CHRM2CHRM1CHRM3CHRM4MEN1
SCHEMBL6156177 0.79 TSHR (0.33) CHRM1NPSR1CYP3A4ALDH1A1
SCHEMBL2671209 0.77 CYP3A4 (0.30) NPSR1CYP3A4
SCHEMBL2671586 0.73 TSHR (0.32)
SCHEMBL2671616 0.72 CYP3A4 (0.31) NPSR1CYP3A4
SCHEMBL16085978 0.72 ALDH1A1 (0.41) NPSR1CYP3A4ALDH1A1
SCHEMBL16085934 0.72 ALDH1A1 (0.41) MEN1KMT2ANPSR1CYP3A4ALDH1A1
SCHEMBL21219179 0.71 CYP3A4 (0.39) GAANPSR1CYP3A4ALDH1A1

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