SCHEMBL4582283

SCHEMBL4582283

O=C(N[C@@H](Cc1ccccc1)C(=O)O)OC(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NPSR1 Q6W5P4 1/20 0.52
ACE P12821 5/20 0.52
GPR132 Q9UNW8 1/20 0.52
NAALAD2 Q9Y3Q0 1/20 0.51
PTPN1 P18031 1/20 0.51
TACR1 P25103 1/20 0.51
PPARG P37231 1/20 0.50
CA2 P00918 2/20 0.49
CPA1 P15085 2/20 0.49
ACE2 Q9BYF1 2/20 0.49
FPR2 P25090 1/20 0.49
CA1 P00915 1/20 0.49

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
SCHEMBL28353707 0.89 MME (0.61) MMEL3MBTL1NPSR1ACEGPR132
SCHEMBL30090841 0.89 MME (0.61) MMEL3MBTL1NPSR1ACEGPR132
SCHEMBL9301046 0.87 ALDH1A1 (0.61) L3MBTL1TACR1PPARGCA2
SCHEMBL4182695 0.84 MME (0.44) MMEPPARGCA2CA1
SCHEMBL4173742 0.84 MME (0.44) MMEPPARGCA2CA1
SCHEMBL4178228 0.84 MME (0.44) MMEPPARGCA2CA1
SCHEMBL10566173 0.83 TSHR (0.42) PPARG
SCHEMBL11059105 0.83 GAA (0.48) MMECA2CA1
SCHEMBL4819455 0.83 GAA (0.48) MMECA2CA1
SCHEMBL10566164 0.83 TSHR (0.42) PPARG

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-1724260-B1 Process for the synthesis of (2S, 3aR, 7aS)octahydroindole-2-carboxylic acid and its conversion to trandolapril SOCHINAZ SA (CH) 2008-02-20 EP disclosed
EP-1876168-A1 Method for manufacturing beta amino alpha hydroxy carboxylic acid amides Evonik Degussa GmbH (DE) 2008-01-09 EP disclosed
EP-1724260-A1 Process for the synthesis of ¬2S, 3aR, 7aS|-octahydroindole-2-carboxylic acid and its conversion to trandolapril Sochinaz SA (CH) 2006-11-22 EP disclosed