SCHEMBL468762

SCHEMBL468762

CCOC(=O)CCC(NC(C)=O)C(=O)OCC

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.75
KMT2A Q03164 3/20 0.71
POLB P06746 1/20 0.71
ALDH1A1 P00352 4/20 0.51
HPGD P15428 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.41
CAD P27708 1/20 0.40
NOD1 Q9Y239 2/20 0.39
CCKBR P32239 1/20 0.37
TRPA1 O75762 1/20 0.36

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
SCHEMBL468763 1.00 L3MBTL1 (0.75) L3MBTL1KMT2APOLBALDH1A1HPGD
SCHEMBL12357113 0.90 L3MBTL1 (0.62) L3MBTL1KMT2APOLBALDH1A1HPGD
SCHEMBL21274418 0.88 L3MBTL1 (0.58) L3MBTL1KMT2APOLBALDH1A1HPGD
SCHEMBL11124589 0.88 L3MBTL1 (0.58) L3MBTL1KMT2APOLBALDH1A1HPGD
SCHEMBL21274419 0.88 L3MBTL1 (0.58) L3MBTL1KMT2APOLBALDH1A1HPGD
SCHEMBL7599579 0.87 L3MBTL1 (0.77) L3MBTL1KMT2APOLBALDH1A1HPGD
SCHEMBL11124586 0.86 L3MBTL1 (0.56) L3MBTL1KMT2APOLBALDH1A1HPGD
SCHEMBL15730803 0.86 L3MBTL1 (1.00) L3MBTL1KMT2APOLBALDH1A1HPGD
SCHEMBL468757 0.84 L3MBTL1 (0.54) L3MBTL1KMT2APOLBALDH1A1HPGD
SCHEMBL4189297 0.84 L3MBTL1 (0.84) 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-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
EP-0050799-A1 New processes for the production of di-alkyl esters and optically active mono-alkyl esters of 3-aminoglutaric acid ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1982-05-05 EP disclosed