SCHEMBL7407601

SCHEMBL7407601

CC(C)C[C@@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.48

Predicted protein targets (top 20)

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
TP53 P04637 1/20 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
LAP3 P28838 2/20 0.37
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

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
SCHEMBL2288664 1.00 RNPEP (0.48) RNPEPSLC7A5SLC1A3SLC1A2TP53
SCHEMBL2412183 0.86 RNPEP (0.55) RNPEPSLC7A5SLC1A3SLC1A2TP53
SCHEMBL15841629 0.84 TP53 (0.43) RNPEPSLC7A5SLC1A3SLC1A2TP53
SCHEMBL6943835 0.82 RNPEP (0.46) RNPEPSLC7A5SLC1A3SLC1A2TP53
SCHEMBL6943831 0.82 RNPEP (0.46) RNPEPSLC7A5SLC1A3SLC1A2TP53
SCHEMBL15846727 0.82 RNPEP (0.46) RNPEPSLC7A5SLC1A3SLC1A2TP53
SCHEMBL9515863 0.82 RNPEP (0.46) RNPEPSLC7A5SLC1A3SLC1A2TP53
SCHEMBL2717757 0.81 SLC1A3 (0.62) RNPEPSLC7A5SLC1A3SLC1A2TP53
SCHEMBL7384828 0.80 SLC1A3 (0.45) RNPEPSLC7A5SLC1A3SLC1A2TP53
SCHEMBL27731260 0.79 RNPEP (0.48) RNPEPSLC7A5SLC1A3SLC1A2TP53

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
US-6191150-B1 METALLOPROTEASE INHIBITOR GLAXO WELLCOME INC. 2001-02-20 US disclosed
WO-2000012466-A1 FORMAMIDE COMPOUNDS AS THERAPEUTIC AGENTS GLAXO GROUP LIMITED (GB) 2000-03-09 WO disclosed