SCHEMBL468758

SCHEMBL468758

CCOC(=O)[C@H](CCC(N)=O)NC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
CAD P27708 1/20 0.46
NOD1 Q9Y239 3/20 0.41
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
ALOX15 P16050 1/20 0.38
PPID Q08752 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
FOLH1 Q04609 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
SCHEMBL468757 1.00 L3MBTL1 (0.54) L3MBTL1KMT2APOLBCADNOD1
SCHEMBL7608495 0.88 L3MBTL1 (0.56) L3MBTL1KMT2APOLBCADNOD1
SCHEMBL468766 0.87 L3MBTL1 (0.41) L3MBTL1KMT2APOLBCADNOD1
SCHEMBL468765 0.87 L3MBTL1 (0.41) L3MBTL1KMT2APOLBCADNOD1
SCHEMBL468916 0.86 FOLH1 (0.47) L3MBTL1KMT2APOLBALDH1A1KDM4E
SCHEMBL468918 0.86 FOLH1 (0.47) L3MBTL1KMT2APOLBALDH1A1KDM4E
SCHEMBL19177135 0.86 FOLH1 (0.47) L3MBTL1KMT2APOLBALDH1A1KDM4E
SCHEMBL4180270 0.85 L3MBTL1 (0.61) L3MBTL1KMT2APOLBCADNOD1
SCHEMBL4180273 0.85 L3MBTL1 (0.61) L3MBTL1KMT2APOLBCADNOD1
SCHEMBL468763 0.84 L3MBTL1 (0.75) L3MBTL1KMT2APOLBCADNOD1

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