SCHEMBL10657882

SCHEMBL10657882

C[C@H](NC(=S)SCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 13/20 0.54
▸ LMNA P02545 1/20 0.51
▸ ACE2 Q9BYF1 4/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ LTA4H P09960 2/20 0.47

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
Arginine SCHEMBL10654400 0.86 ACE (0.46) ACELMNAACE2SMN1; SMN2
SCHEMBL10655628 0.83 ACE (0.59) ACELMNAACE2SMN1; SMN2LTA4H
SCHEMBL10659600 0.81 ACE (0.62) ACELMNAACE2SMN1; SMN2LTA4H
SCHEMBL10659497 0.80 ACE (0.61) ACELMNAACE2SMN1; SMN2LTA4H
SCHEMBL10657907 0.80 PREP (0.67) ACELMNAACE2SMN1; SMN2
SCHEMBL10653350 0.80 ACE (0.50) ACELMNAACE2
SCHEMBL10760730 0.79 ACE (0.55) ACELMNAACE2LTA4H
SCHEMBL10656412 0.79 ACE (0.58) ACELMNAACE2LTA4H
SCHEMBL10765228 0.79 ACE (0.56) ACELMNAACE2LTA4H
SCHEMBL10654808 0.79 ACE (0.66) ACEACE2

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
US-4719200-A Amino acid derivatives and antihypertensive drugs containing the same AJINOMOTO CO., INC. (JP) 1988-01-12 — — US disclosed
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