SCHEMBL2474901

SCHEMBL2474901

CC(C)CC(C(=O)O)C(=O)Br

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.48
SLC7A5 Q01650 1/20 0.48
ALDH1A1 P00352 2/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
MME P08473 1/20 0.39
CPA1 P15085 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
CACNA2D1 P54289 2/20 0.37
CACNB3 P54284 1/20 0.37
CACNA1C Q13936 1/20 0.37
PGR P06401 1/20 0.37
ADRA1A P35348 1/20 0.37
HTR2B P41595 1/20 0.37
CACNA2D2 Q9NY47 1/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 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
SCHEMBL1200181 0.83 RNPEP (0.57) RNPEPSLC7A5ALDH1A1SLC1A3SLC1A2
Hydroxyamine SCHEMBL20817080 0.78 SLC7A5 (0.59) RNPEPSLC7A5ALDH1A1SLC1A3SLC1A2
SCHEMBL180035 0.76 RNPEP (0.50) RNPEPSLC7A5ALDH1A1SLC1A3SLC1A2
SCHEMBL7624329 0.74 SLC7A5 (0.54) RNPEPSLC7A5ALDH1A1SLC1A3SLC1A2
Hydrochloric Acid SCHEMBL27761977 0.74 RNPEP (0.48) RNPEPSLC7A5ALDH1A1SLC1A3SLC1A2
SCHEMBL6897228 0.74 SLC7A5 (0.54) RNPEPSLC7A5ALDH1A1SLC1A3SLC1A2
SCHEMBL16273577 0.74 RNPEP (0.48) RNPEPSLC7A5ALDH1A1SLC1A3SLC1A2
SCHEMBL6205402 0.72
SCHEMBL22272350 0.72 RNPEP (0.46) RNPEPSLC7A5ALDH1A1SLC1A3SLC1A2
SCHEMBL9026180 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2374821-B1 MANUFACTURING METHOD OF SOLID CATALYST COMPONENT AND OF CATALYST FOR OLEFIN POLYMERIZATION TOHO TITANIUM CO LTD (JP) 2015-05-06 EP disclosed
EP-2374821-A1 SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION, MANUFACTURING METHOD, AND CATALYST AND OLEFIN POLYMER MANUFACTURING METHOD Toho Titanium CO., LTD. (JP) 2011-10-12 EP disclosed