SCHEMBL6574069

SCHEMBL6574069

CN(c1ccc(CSC[C@H](NC(=O)C(C)(C)CS)C(=O)O)cc1)C(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACE P12821 17/20 0.57

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
SCHEMBL8447649 1.00 ACE (0.57) ACE
SCHEMBL8447630 0.91 ACE (0.69) ACE
SCHEMBL8449653 0.88 ACE (0.59) ACE
SCHEMBL6578261 0.88 ACE (0.57) ACE
SCHEMBL8450604 0.88 ACE (0.57) ACE
SCHEMBL8447389 0.87 ACE (0.70) ACE
SCHEMBL6576598 0.83 ACE (0.82) ACE
SCHEMBL6577809 0.83 PPARA (0.48) ACE
SCHEMBL8454004 0.81 ACE (0.56) ACE
SCHEMBL8450418 0.81 PPARA (0.70) ACE

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-0870762-B1 NOVEL AMINO ACID DERIVATIVES HAVING N,N-DIALKYLAMINOPHENYL GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2004-04-28 EP disclosed
EP-0870762-A1 NOVEL AMINO ACID DERIVATIVES HAVING N,N-DIALKYLAMINOPHENYL GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP disclosed