SCHEMBL28071461

SCHEMBL28071461

CC(=O)C(CC(C)C)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.41
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
RNPEP Q9H4A4 1/20 0.36
CACNA2D1 P54289 2/20 0.35
CACNB3 P54284 1/20 0.35
CACNA1C Q13936 1/20 0.35
PGR P06401 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
CACNA2D2 Q9NY47 1/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
KISS1R Q969F8 4/20 0.35
ANPEP P15144 4/20 0.34
LAP3 P28838 2/20 0.34
ERAP1 Q9NZ08 1/20 0.34
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL1706825 0.87 LMNA (0.39) TDP1LMNAALOX15BLMPMP22
SCHEMBL14859907 0.87 SLC7A5 (0.46) SLC7A5ALDH1A1TDP1RNPEPCACNA2D1
SCHEMBL450897 0.84 ALDH1A1 (0.43) SLC7A5ALDH1A1TDP1RNPEPCACNA2D1
SCHEMBL7624329 0.82 SLC7A5 (0.54) SLC7A5ALDH1A1RNPEPCACNA2D1CACNB3
SCHEMBL6897228 0.82 SLC7A5 (0.54) SLC7A5ALDH1A1RNPEPCACNA2D1CACNB3
SCHEMBL180035 0.79 RNPEP (0.50) SLC7A5ALDH1A1TDP1RNPEPCACNA2D1
Hydrochloric Acid SCHEMBL27761977 0.77 RNPEP (0.48) SLC7A5ALDH1A1TDP1RNPEPCACNA2D1
SCHEMBL5182594 0.76 LMNA (0.39) TDP1LMNAALOX15BLMPMP22
SCHEMBL8459303 0.75 ALDH1A1 (0.36) SLC7A5ALDH1A1TDP1RNPEPCACNA2D1
SCHEMBL24262318 0.75

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
CN-103709054-B Preparation method of DL-leucine 广州天科生物科技有限公司 2016-06-29 CN disclosed