SCHEMBL5814130

SCHEMBL5814130

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CPB2 Q96IY4 2/20 0.45
CYP1A2 P05177 1/20 0.43
CAD P27708 1/20 0.42
TLR2 O60603 2/20 0.42
NOD1 Q9Y239 3/20 0.41
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL5814126 1.00 SIRT6 (0.49) SIRT6SIRT1KMT2APOLBL3MBTL1
SCHEMBL5810990 0.95 SIRT6 (0.55) SIRT6SIRT1KMT2APOLBL3MBTL1
SCHEMBL5810992 0.95 SIRT6 (0.55) SIRT6SIRT1KMT2APOLBL3MBTL1
SCHEMBL6001429 0.87 SIRT6 (0.50) SIRT6SIRT1KMT2APOLBTLR2
SCHEMBL6001433 0.87 SIRT6 (0.50) SIRT6SIRT1KMT2APOLBTLR2
SCHEMBL5813057 0.86 SIRT6 (0.48) SIRT6SIRT1TLR2ITGB3ITGA2B
SCHEMBL5813054 0.86 SIRT6 (0.48) SIRT6SIRT1TLR2ITGB3ITGA2B
SCHEMBL21879807 0.83 CPB2 (0.53) SIRT6SIRT1KMT2APOLBL3MBTL1
SCHEMBL4727759 0.83 SIRT6 (0.46) SIRT6SIRT1TLR2ITGB3ITGA2B
SCHEMBL28767737 0.83 KMT2A (0.47) SIRT6SIRT1KMT2APOLBL3MBTL1

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