SCHEMBL7438533

SCHEMBL7438533

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.40
SLC7A5 Q01650 1/20 0.40
ALDH1A1 P00352 2/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
CPA1 P15085 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
HSPD1 P10809 1/20 0.32
BLM P54132 1/20 0.32
HSPE1 P61604 1/20 0.32
MAPT P10636 1/20 0.32
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CACNA2D2 Q9NY47 1/20 0.31

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
SCHEMBL7436792 1.00 RNPEP (0.40) RNPEPSLC7A5ALDH1A1SLC1A3SLC1A2
SCHEMBL21859002 0.90 RNPEP (0.36) RNPEPSLC7A5ALDH1A1SLC1A3SLC1A2
SCHEMBL17376951 0.83 RNPEP (0.40) RNPEPSLC7A5ALDH1A1SLC1A3SLC1A2
SCHEMBL19138763 0.82 SLC1A3 (0.36) RNPEPSLC7A5SLC1A3SLC1A2MEN1
SCHEMBL1122815 0.80 HSPD1 (0.34) ALDH1A1SLC1A3SLC1A2MEN1KMT2A
SCHEMBL29139332 0.78 HSPD1 (0.33) SLC1A3SLC1A2MEN1KMT2AHSPD1
SCHEMBL27585279 0.77 MMP1 (0.39) RNPEPSLC7A5ALDH1A1SLC1A3SLC1A2
SCHEMBL28637959 0.77 HSPD1 (0.36) RNPEPSLC7A5SLC1A3SLC1A2MEN1
SCHEMBL13660018 0.77 RNPEP (0.41) RNPEPSLC7A5ALDH1A1SLC1A3SLC1A2
SCHEMBL17011642 0.77 RNPEP (0.41) RNPEPSLC7A5ALDH1A1SLC1A3SLC1A2

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
EP-0664284-A1 Process for preparing carboxamides F. HOFFMANN-LA ROCHE AG (CH) 1995-07-26 EP claimed
EP-0664284-A1 Process for preparing carboxamides F. HOFFMANN-LA ROCHE AG (CH) 1995-07-26 EP disclosed