SCHEMBL468765

SCHEMBL468765

CCCOC(=O)C(CCC(N)=O)NC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
NOD1 Q9Y239 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 1/20 0.39
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
PLA2G2C Q5R387 2/20 0.35
SIRT6 Q8N6T7 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CAD P27708 1/20 0.34
FOLH1 Q04609 1/20 0.34
TLR2 O60603 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL468766 1.00 L3MBTL1 (0.41) L3MBTL1NOD1KMT2APOLBCHRM2
SCHEMBL468919 0.91 NOD1 (0.45) L3MBTL1NOD1KMT2APOLBCHRM2
SCHEMBL468917 0.91 NOD1 (0.45) L3MBTL1NOD1KMT2APOLBCHRM2
SCHEMBL468783 0.89 NOD1 (0.50) NOD1KMT2APOLBPLA2G2CSIRT6
SCHEMBL468782 0.89 NOD1 (0.50) NOD1KMT2APOLBPLA2G2CSIRT6
SCHEMBL468770 0.88 NOD1 (0.52) NOD1KMT2APLA2G2CSIRT6SIRT1
SCHEMBL7043919 0.88 NOD1 (0.52) NOD1KMT2APLA2G2CSIRT6SIRT1
SCHEMBL468769 0.88 NOD1 (0.52) NOD1KMT2APLA2G2CSIRT6SIRT1
SCHEMBL468829 0.88 NOD1 (0.52) NOD1KMT2APLA2G2CSIRT6SIRT1
SCHEMBL8773297 0.88 NOD1 (0.52) NOD1KMT2APLA2G2CSIRT6SIRT1

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-RE42902-E1 N-acetyl aldosamines, N-acetylamino acids and related N-acetyl compounds and their topical use TRISTRATA, INC. (US) 2011-11-08 US claimed
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