SCHEMBL7453161

SCHEMBL7453161

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.48
SLC7A5 Q01650 1/20 0.48
SLC1A3 P43003 2/20 0.43
SLC1A2 P43004 2/20 0.43
SLC1A1 P43005 1/20 0.43
ALDH1A1 P00352 2/20 0.41
CPA1 P15085 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
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

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
SCHEMBL16758672 0.89 SLC1A3 (0.46) RNPEPSLC7A5SLC1A3SLC1A2SLC1A1
Diethylamine SCHEMBL27889843 0.87 RNPEP (0.39) RNPEPSLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL2412183 0.86 RNPEP (0.55) RNPEPSLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL30018397 0.84 SLC1A3 (0.43) RNPEPSLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL17283387 0.83 SLC7A5 (0.48) RNPEPSLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL8871238 0.83 SLC7A5 (0.48) RNPEPSLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL664075 0.83 SLC7A5 (0.48) RNPEPSLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL666505 0.83 SLC7A5 (0.48) RNPEPSLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL3872939 0.83 SLC7A5 (0.48) RNPEPSLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL3755208 0.82 NAALAD2 (0.45) RNPEPSLC7A5SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6455531-B1 METALLOPROTEINASE INHIBITORS DARWIN DISCOVERY, LTD. (GB) 2002-09-24 US disclosed
EP-1237868-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS Darwin Discovery Limited (GB) 2002-09-11 EP disclosed
WO-2001044189-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS DARWIN DISCOVERY LIMITED (GB) 2001-06-21 WO disclosed