SCHEMBL7585174

SCHEMBL7585174

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
RNPEP Q9H4A4 1/20 0.43
SLC7A5 Q01650 1/20 0.43
SLC1A3 P43003 2/20 0.39
SLC1A2 P43004 2/20 0.39
SLC1A1 P43005 1/20 0.39
FOLH1 Q04609 2/20 0.39
CYP1A2 P05177 1/20 0.38
ALDH1A1 P00352 2/20 0.38
BLM P54132 1/20 0.38
MME P08473 1/20 0.36
CPA1 P15085 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
LTA4H P09960 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
SCHEMBL20579813 0.78 CA1 (0.41) CA1RNPEPSLC7A5SLC1A3SLC1A2
SCHEMBL1200181 0.77 RNPEP (0.57) RNPEPSLC7A5SLC1A3SLC1A2ALDH1A1
SCHEMBL27797298 0.76 CA1 (0.48) CA1RNPEPSLC7A5SLC1A3SLC1A2
SCHEMBL29571242 0.74 RNPEP (0.44) RNPEPSLC7A5SLC1A3SLC1A2ALDH1A1
SCHEMBL106832 0.74 CA1 (0.46) CA1RNPEPSLC7A5SLC1A3SLC1A2
SCHEMBL5143583 0.74 RNPEP (0.44) RNPEPSLC7A5SLC1A3SLC1A2FOLH1
SCHEMBL14896184 0.73 CA1 (0.44) CA1SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL800723 0.72 CA1 (0.55) CA1SLC1A3SLC1A2SLC1A1CYP1A2
Hydroxyamine SCHEMBL20817080 0.72 SLC7A5 (0.59) RNPEPSLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL10961166 0.71 RNPEP (0.41) RNPEPSLC7A5SLC1A3SLC1A2FOLH1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1279053-C Modulators for beta-amyloid peptide aggregation comprising D-amino acids PRAECIS PHARM INC (US) 2006-10-11 CN disclosed
EP-1263454-A2 METHODS FOR ENHANCING THE BIOAVAILABILITY OF A DRUG Praecis Pharmaceuticals Incorporated (US) 2002-12-11 EP disclosed
WO-2000052048-A9 MODULATORS OF BETA-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS PRAECIS PHARM INC (US) 2002-04-11 WO disclosed
EP-1161449-A1 MODULATORS OF BETA-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS Praecis Pharmaceuticals Incorporated (US) 2001-12-12 EP disclosed
WO-2001058470-A2 METHODS FOR ENHANCING THE BIOAVAILABILITY OF A DRUG PRAECIS PHARMACEUTICALS INCORPORATED (US) 2001-08-16 WO disclosed
WO-2000052048-A1 MODULATORS OF BETA-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS PRAECIS PHARMACEUTICALS INCORPORATED (US) 2000-09-08 WO disclosed
EP-0929574-A1 MODULATORS OF beta-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS Praecis Pharmaceuticals Incorporated (US) 1999-07-21 EP disclosed
WO-1998008868-A9 MODULATORS OF β-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS 1998-05-28 WO disclosed
WO-1998008868-A1 MODULATORS OF β-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS PRAECIS PHARMACEUTICALS INCORPORATED (US) 1998-03-05 WO disclosed