SCHEMBL15570359

SCHEMBL15570359

CCN(CC)C(=O)C/C(C(=O)O)=C(/C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.42
FNTB P49356 2/20 0.42
THRB P10828 1/20 0.42
PGGT1B P53609 1/20 0.42
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH2 P05091 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GRIK1 P39086 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP8 P22894 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL15570361 1.00 FNTA (0.42) FNTAFNTBTHRBPGGT1BLMNA
SCHEMBL18279538 0.87 LMNA (0.48) LMNAALDH1A1HSD17B10ALDH2KDM4E
SCHEMBL18279540 0.87 LMNA (0.48) LMNAALDH1A1HSD17B10ALDH2KDM4E
SCHEMBL15667962 0.85 LMNA (0.36) FNTAFNTBTHRBPGGT1BLMNA
SCHEMBL23646014 0.78 FNTA (0.41) FNTAFNTBTHRBPGGT1BALDH1A1
SCHEMBL18700396 0.74 LMNA (0.44) LMNAALDH1A1HSD17B10ALDH2KDM4E
SCHEMBL2097527 0.74 LMNA (0.60) LMNAALDH1A1HSD17B10ALDH2GAA
SCHEMBL14874370 0.73 FNTA (0.43) FNTAFNTBTHRBPGGT1BHSD17B10
SCHEMBL15512105 0.73 LMNA (0.48) LMNAALDH1A1HSD17B10ALDH2KDM4E
SCHEMBL1333039 0.72 FNTA (0.46) FNTAFNTBTHRBPGGT1BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014031897-A1 ORAL DOSAGE FORMS HAVING A HIGH LOADING OF (N,N- DIETHYLCARBAMOYL)METHYL METHYL|(2E)BUT-2-ENE-1,4-DIOATE XENOPORT, INC. (US) 2014-02-27 WO disclosed