SCHEMBL21859002

SCHEMBL21859002

CCC(CC(C)C)(C(=O)O)C(CC(C)C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.36
SLC7A5 Q01650 1/20 0.36
ALDH1A1 P00352 2/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
CPA1 P15085 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
GRM2 Q14416 1/20 0.30
GRM3 Q14832 1/20 0.30

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
SCHEMBL7438533 0.90 RNPEP (0.40) RNPEPSLC7A5ALDH1A1SLC1A3SLC1A2
SCHEMBL7436792 0.90 RNPEP (0.40) RNPEPSLC7A5ALDH1A1SLC1A3SLC1A2
SCHEMBL17376951 0.90 RNPEP (0.40) RNPEPSLC7A5ALDH1A1SLC1A3SLC1A2
SCHEMBL7436795 0.87 GRM2 (0.31) GRM2GRM3
SCHEMBL7438539 0.87 GRM2 (0.31) GRM2GRM3
SCHEMBL28637959 0.83 HSPD1 (0.36) RNPEPSLC7A5SLC1A3SLC1A2MEN1
SCHEMBL17376800 0.82 RNPEP (0.34) RNPEPSLC7A5ALDH1A1SLC1A3SLC1A2
SCHEMBL17376861 0.82 RNPEP (0.34) RNPEPSLC7A5ALDH1A1SLC1A3SLC1A2
SCHEMBL13269259 0.82 MMP8 (0.43) RNPEPSLC7A5
SCHEMBL17376900 0.80 MMP8 (0.33) RNPEPSLC7A5

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-2020080555-A1 POLYPROPYLENE COMPOSITION AND MOLDED ARTICLE BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2020-04-23 WO disclosed