SCHEMBL5812873

SCHEMBL5812873

CC(=O)NC(CCCCN)C(=O)OC(C)C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.50
SIRT1 Q96EB6 1/20 0.50
TLR2 O60603 2/20 0.46
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
TRPV1 Q8NER1 1/20 0.41
FOLH1 Q04609 1/20 0.40
ITGB3 P05106 4/20 0.39
ITGA2B P08514 4/20 0.39
CPA1 P15085 1/20 0.38
CPA2 P48052 1/20 0.38
CPA4 Q9UI42 1/20 0.38
CPB2 Q96IY4 2/20 0.38
PAOX Q6QHF9 2/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL5812879 1.00 SIRT6 (0.50) SIRT6SIRT1TLR2CA1CA2
SCHEMBL5812966 0.95 SIRT6 (0.44) SIRT6SIRT1TLR2CA1CA2
SCHEMBL5812964 0.95 SIRT6 (0.44) SIRT6SIRT1TLR2CA1CA2
SCHEMBL18916657 0.88 SIRT6 (0.48) SIRT6SIRT1TLR2CA1CA2
SCHEMBL2387748 0.85 SIRT6 (0.54) SIRT6SIRT1TLR2CA1CA2
SCHEMBL5494276 0.85 SIRT6 (0.54) SIRT6SIRT1TLR2CA1CA2
SCHEMBL23425686 0.84 SIRT6 (0.48) SIRT6SIRT1TLR2CA1CA2
SCHEMBL5014525 0.83 SIRT6 (0.52) SIRT6SIRT1TLR2CA1CA2
SCHEMBL21412801 0.83 SIRT6 (0.52) SIRT6SIRT1TLR2CA1CA2
SCHEMBL14178208 0.83 SIRT6 (0.52) SIRT6SIRT1TLR2CA1CA2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 WO claimed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 US claimed
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 WO disclosed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 US disclosed