SCHEMBL468847

SCHEMBL468847

CCCOC(=O)CC(NC(C)=O)C(=O)OCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
NFKB1 P19838 1/20 0.36
PTGS2 P35354 1/20 0.36
THPO P40225 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACACB O00763 6/20 0.35
ALDH1A1 P00352 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 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
SCHEMBL468849 1.00 MAPT (0.36) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL468833 0.90 ALDH1A1 (0.46) MAPTRECQLSMN1; SMN2ACACBALDH1A1
SCHEMBL468834 0.90 ALDH1A1 (0.46) MAPTRECQLSMN1; SMN2ACACBALDH1A1
SCHEMBL468819 0.87 NAAA (0.51) MAPTPLA2G2CL3MBTL1MAPK1NPSR1
SCHEMBL468854 0.87 NAAA (0.51) MAPTPLA2G2CL3MBTL1MAPK1NPSR1
SCHEMBL468856 0.87 NAAA (0.51) MAPTPLA2G2CL3MBTL1MAPK1NPSR1
SCHEMBL468820 0.87 NAAA (0.51) MAPTPLA2G2CL3MBTL1MAPK1NPSR1
SCHEMBL468881 0.84 CAD (0.36) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL468882 0.84 CAD (0.36) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL468904 0.83 L3MBTL1 (0.53) MAPTKDM4ETHRBALOX15NFKB1

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