SCHEMBL6870066

SCHEMBL6870066

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

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.62
SLC1A2 P43004 1/20 0.62
SLC1A1 P43005 1/20 0.62
TDP1 Q9NUW8 1/20 0.39
SLC7A5 Q01650 2/20 0.39
RNPEP Q9H4A4 1/20 0.39
TP53 P04637 1/20 0.38
ACE P12821 1/20 0.34
FOLH1 Q04609 2/20 0.33
NAALAD2 Q9Y3Q0 2/20 0.33
ENPEP Q07075 1/20 0.33
CYP1A2 P05177 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
SCHEMBL9677603 0.93 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1TDP1SLC7A5
SCHEMBL28015104 0.83 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1TDP1SLC7A5
SCHEMBL2717757 0.83 SLC1A3 (0.62) SLC1A3SLC1A2SLC1A1TDP1SLC7A5
SCHEMBL9213452 0.81 SLC1A3 (0.60) SLC1A3SLC1A2SLC1A1TDP1SLC7A5
SCHEMBL9858433 0.81 SLC1A3 (0.60) SLC1A3SLC1A2SLC1A1TDP1SLC7A5
SCHEMBL26138067 0.79 SLC1A3 (0.58) SLC1A3SLC1A2SLC1A1TDP1SLC7A5
SCHEMBL1389820 0.77 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1TDP1SLC7A5
SCHEMBL27818839 0.77 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1TDP1SLC7A5
SCHEMBL11591560 0.77 ACE (0.50) SLC1A3SLC1A2SLC1A1TDP1SLC7A5
SCHEMBL9005541 0.77 SLC1A2 (1.00) SLC1A3SLC1A2SLC1A1SLC7A5

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-2011070459-A1 PROCESS FOR ENANTIOMERICALLY PURE 8-ARYLOCTANOIC ACIDS AS ALISKIREN CarboDesign LLC (US) 2011-06-16 WO disclosed