SCHEMBL9675574

SCHEMBL9675574

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

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.54
SLC1A2 P43004 2/20 0.54
SLC1A1 P43005 1/20 0.54
RNPEP Q9H4A4 1/20 0.43
SLC7A5 Q01650 1/20 0.43
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
CPA1 P15085 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
LAP3 P28838 2/20 0.34
CACNA2D1 P54289 2/20 0.33
CACNB3 P54284 1/20 0.33
CACNA1C Q13936 1/20 0.33
PGR P06401 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
CACNA2D2 Q9NY47 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
SCHEMBL9675609 1.00 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1RNPEPSLC7A5
SCHEMBL9675622 1.00 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1RNPEPSLC7A5
SCHEMBL9676557 1.00 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1RNPEPSLC7A5
SCHEMBL2717757 0.85 SLC1A3 (0.62) SLC1A3SLC1A2SLC1A1RNPEPSLC7A5
SCHEMBL9677744 0.84 SLC1A3 (0.47) SLC1A3SLC1A2SLC1A1RNPEPSLC7A5
SCHEMBL9677584 0.84 SLC1A3 (0.47) SLC1A3SLC1A2SLC1A1RNPEPSLC7A5
SCHEMBL9675657 0.84 SLC1A3 (0.57) SLC1A3SLC1A2SLC1A1RNPEPSLC7A5
SCHEMBL9676505 0.84 SLC1A3 (0.47) SLC1A3SLC1A2SLC1A1RNPEPSLC7A5
SCHEMBL9667249 0.84 SLC1A3 (0.57) SLC1A3SLC1A2SLC1A1RNPEPSLC7A5
SCHEMBL9677603 0.79 SLC1A3 (0.56) 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