SCHEMBL5812964

SCHEMBL5812964

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
TLR2 O60603 2/20 0.41
TRPV1 Q8NER1 1/20 0.39
ITGB3 P05106 4/20 0.37
ITGA2B P08514 4/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
ALDH1A1 P00352 2/20 0.37
GNPAT O15228 1/20 0.36
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CPA1 P15085 1/20 0.34
CPA2 P48052 1/20 0.34
CPA4 Q9UI42 1/20 0.34
PAOX Q6QHF9 2/20 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
SCHEMBL5812966 1.00 SIRT6 (0.44) SIRT6SIRT1TLR2TRPV1ITGB3
SCHEMBL5812873 0.95 SIRT6 (0.50) SIRT6SIRT1TLR2TRPV1ITGB3
SCHEMBL5812879 0.95 SIRT6 (0.50) SIRT6SIRT1TLR2TRPV1ITGB3
SCHEMBL15226529 0.86 SIRT6 (0.45) SIRT6SIRT1TLR2TRPV1ITGB3
SCHEMBL5813057 0.84 SIRT6 (0.48) SIRT6SIRT1TLR2ITGB3ITGA2B
SCHEMBL5813054 0.84 SIRT6 (0.48) SIRT6SIRT1TLR2ITGB3ITGA2B
SCHEMBL18916657 0.83 SIRT6 (0.48) SIRT6SIRT1TLR2TRPV1ITGB3
SCHEMBL6001275 0.81 SIRT6 (0.41) SIRT6SIRT1TLR2TRPV1CA1
SCHEMBL4727757 0.81 SIRT6 (0.46) SIRT6SIRT1TLR2TRPV1ITGB3
SCHEMBL4727759 0.81 SIRT6 (0.46) SIRT6SIRT1TLR2TRPV1ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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