SCHEMBL468879

SCHEMBL468879

CC(=O)NC(CCC(=O)OC(C)C)C(=O)OC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 3/20 0.38
TRPV1 Q8NER1 1/20 0.37
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
NFKB1 P19838 1/20 0.35
PTGS2 P35354 1/20 0.35
THPO P40225 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TSHR P16473 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
SCHEMBL468880 1.00 L3MBTL1 (0.42) L3MBTL1KMT2ALMNAPOLBALDH1A1
SCHEMBL468851 0.85 FOLH1 (0.38) L3MBTL1KMT2APOLBALDH1A1TRPV1
SCHEMBL468852 0.85 FOLH1 (0.38) L3MBTL1KMT2APOLBALDH1A1TRPV1
SCHEMBL5808814 0.82 ALDH1A1 (0.40) L3MBTL1ALDH1A1TRPV1MAPTKDM4E
SCHEMBL468693 0.82 ALDH1A1 (0.40) LMNAALDH1A1TRPV1MAPTKDM4E
SCHEMBL468692 0.82 ALDH1A1 (0.40) LMNAALDH1A1TRPV1MAPTKDM4E
SCHEMBL5808817 0.82 ALDH1A1 (0.40) L3MBTL1ALDH1A1TRPV1MAPTKDM4E
SCHEMBL9659655 0.82 L3MBTL1 (0.43) L3MBTL1KMT2APOLBALDH1A1TRPV1
SCHEMBL9658577 0.82 L3MBTL1 (0.43) L3MBTL1KMT2APOLBALDH1A1TRPV1
SCHEMBL13043586 0.79 LMNA (0.35) L3MBTL1KMT2ALMNAALDH1A1TRPV1

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