SCHEMBL468906

SCHEMBL468906

CCCOC(=O)CC[C@H](NC(C)=O)C(=O)OCCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.53
KMT2A Q03164 3/20 0.50
POLB P06746 1/20 0.50
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
PLA2G2A P14555 2/20 0.38
DGKA P23743 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
NOD1 Q9Y239 2/20 0.37
PLA2G2C Q5R387 2/20 0.36
TLR2 O60603 1/20 0.35
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
NFKB1 P19838 1/20 0.34
PTGS2 P35354 1/20 0.34
THPO P40225 1/20 0.34
RECQL P46063 1/20 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
SCHEMBL468904 1.00 L3MBTL1 (0.53) L3MBTL1KMT2APOLBALDH1A1HPGD
SCHEMBL12357113 0.94 L3MBTL1 (0.62) L3MBTL1KMT2APOLBALDH1A1HPGD
SCHEMBL12357112 0.92 L3MBTL1 (0.47) L3MBTL1KMT2APOLBALDH1A1HPGD
SCHEMBL468748 0.90 KMT2A (0.51) L3MBTL1KMT2APOLBALDH1A1HPGD
SCHEMBL468747 0.90 KMT2A (0.51) L3MBTL1KMT2APOLBALDH1A1HPGD
SCHEMBL468844 0.88 KMT2A (0.51) L3MBTL1KMT2APOLBALDH1A1HPGD
SCHEMBL468842 0.88 KMT2A (0.51) L3MBTL1KMT2APOLBALDH1A1HPGD
SCHEMBL468841 0.88 KMT2A (0.51) L3MBTL1KMT2APOLBALDH1A1HPGD
SCHEMBL468843 0.88 KMT2A (0.51) L3MBTL1KMT2APOLBALDH1A1HPGD
SCHEMBL18612090 0.87 L3MBTL1 (0.49) L3MBTL1KMT2APOLBALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE44017-E1 N-acetyl aldosamines, N-acetylamino acids and related N-acetyl compounds and their topical use YU RUEY J (US) 2013-02-19 US claimed
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