SCHEMBL6001433

SCHEMBL6001433

CCCOC(=O)[C@H](CCCN)NC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.50
SIRT1 Q96EB6 1/20 0.50
TLR2 O60603 2/20 0.46
ITGB3 P05106 4/20 0.39
ITGA2B P08514 4/20 0.39
NOD1 Q9Y239 3/20 0.39
PLA2G2C Q5R387 1/20 0.38
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
GNPAT O15228 1/20 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
SCHEMBL6001429 1.00 SIRT6 (0.50) SIRT6SIRT1TLR2ITGB3ITGA2B
SCHEMBL5808679 0.95 SIRT6 (0.56) SIRT6SIRT1TLR2ITGB3ITGA2B
SCHEMBL5808675 0.95 SIRT6 (0.56) SIRT6SIRT1TLR2ITGB3ITGA2B
SCHEMBL5814126 0.87 SIRT6 (0.49) SIRT6SIRT1TLR2ITGB3ITGA2B
SCHEMBL5814130 0.87 SIRT6 (0.49) SIRT6SIRT1TLR2ITGB3ITGA2B
SCHEMBL5813054 0.83 SIRT6 (0.48) SIRT6SIRT1TLR2ITGB3ITGA2B
SCHEMBL5813057 0.83 SIRT6 (0.48) SIRT6SIRT1TLR2ITGB3ITGA2B
SCHEMBL28064120 0.83 SIRT6 (0.43) SIRT6SIRT1TLR2NOD1DPP8
SCHEMBL5810992 0.82 SIRT6 (0.55) SIRT6SIRT1TLR2ITGB3ITGA2B
SCHEMBL5810990 0.82 SIRT6 (0.55) SIRT6SIRT1TLR2ITGB3ITGA2B

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 2 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
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 US disclosed