SCHEMBL9677603

SCHEMBL9677603

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.56
SLC1A2 P43004 2/20 0.56
SLC1A1 P43005 1/20 0.56
RNPEP Q9H4A4 1/20 0.44
SLC7A5 Q01650 1/20 0.44
ALDH1A1 P00352 2/20 0.39
CPA1 P15085 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
LAP3 P28838 2/20 0.35
ACE P12821 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CACNB3 P54284 1/20 0.34
CACNA2D1 P54289 1/20 0.34
CACNA1C Q13936 1/20 0.34

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
SCHEMBL6870066 0.93 SLC1A3 (0.62) SLC1A3SLC1A2SLC1A1RNPEPSLC7A5
SCHEMBL2717757 0.87 SLC1A3 (0.62) SLC1A3SLC1A2SLC1A1RNPEPSLC7A5
SCHEMBL9675574 0.79 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1RNPEPSLC7A5
SCHEMBL9676557 0.79 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1RNPEPSLC7A5
SCHEMBL9675622 0.79 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1RNPEPSLC7A5
SCHEMBL9675609 0.79 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1RNPEPSLC7A5
SCHEMBL28015104 0.77 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1RNPEPSLC7A5
SCHEMBL2412183 0.76 RNPEP (0.55) SLC1A3SLC1A2SLC1A1RNPEPSLC7A5
SCHEMBL9213452 0.75 SLC1A3 (0.60) SLC1A3SLC1A2SLC1A1RNPEPSLC7A5
SCHEMBL9858433 0.75 SLC1A3 (0.60) SLC1A3SLC1A2SLC1A1RNPEPSLC7A5

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
EP-0486478-A2 Renin-inhibiting peptides THE UPJOHN COMPANY (US) 1992-05-20 EP disclosed
US-4880781-A HYPOTENSIVE AGENTS THE UPJOHN COMPANY (US) 1989-11-14 US disclosed
EP-0173481-A2 Peptides THE UPJOHN COMPANY (US) 1986-03-05 EP disclosed