SCHEMBL5716232

SCHEMBL5716232

CC(NC(=O)OC(C)(C)C)C(=O)N1C(C(=O)O)CC2CCCCC21

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.55
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
ELANE P08246 1/20 0.41
BTK Q06187 1/20 0.38

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
SCHEMBL5716228 1.00 ACE (0.55) ACEKMT2AMEN1USP2LMNA
SCHEMBL5364563 1.00 ACE (0.55) ACEKMT2AMEN1USP2LMNA
SCHEMBL10747717 1.00 ACE (0.55) ACEKMT2AMEN1USP2LMNA
SCHEMBL9775310 0.98 ACE (0.53) ACEKMT2AMEN1USP2LMNA
SCHEMBL4404273 0.85 ACE (0.53) ACEKMT2AMEN1USP2LMNA
SCHEMBL9256682 0.82 CTSL (0.54) ACEKMT2AMEN1USP2LMNA
SCHEMBL27605644 0.81 ACE (0.39) ACEKMT2AMEN1USP2LMNA
SCHEMBL9592654 0.80 CTSL (0.54) ACEKMT2AMEN1USP2LMNA
SCHEMBL9773233 0.80 CTSL (0.54) ACEKMT2AMEN1USP2LMNA
SCHEMBL8337646 0.79 CHRM2 (0.45) ACEKMT2AMEN1USP2LMNA

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-1256590-B1 Method for synthesis of (2S,3aS,7aS)-1-(S)-alanyl-octahydro-1H-indole-2- carboxylic acid derivatives and use in the synthesis of perindopril SERVIER LAB (FR) 2006-03-01 EP disclosed
EP-1420030-A2 Method for synthesis of (2S,3aS,7aS)-1-[(S)-alanyl]-octahydro-1H-indole-2-carboxylic acid derivatives and use in the synthesis of perindopril Les Laboratoires Servier (FR) 2004-05-19 EP disclosed
EP-1256590-A1 Method for synthesis of (2S,3aS,7aS)-1-(S)-alanyl-octahydro-1H-indole-2- carboxylic acid derivatives and use in the synthesis of perindopril Les Laboratoires Servier S.A. (FR) 2002-11-13 EP disclosed