SCHEMBL7401348

SCHEMBL7401348

CCC(CC)SCC(OC(=O)[C@@H](C)CS)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.34
ENPEP Q07075 2/20 0.31

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
SCHEMBL7401350 1.00 ACE (0.34) ACEENPEP
SCHEMBL9236581 0.86 ACE (0.35) ACEENPEP
SCHEMBL7396783 0.86 ACE (0.35) ACEENPEP
SCHEMBL7396782 0.86 ACE (0.35) ACEENPEP
Amantadine SCHEMBL7401393 0.85 THRB (0.33)
Amantadine SCHEMBL7401389 0.85 THRB (0.33)
SCHEMBL7395223 0.82 MME (0.35) ACE
SCHEMBL7395220 0.82 MME (0.35) ACE
SCHEMBL3218131 0.82 ENPEP (0.35) ACEENPEP
SCHEMBL3218126 0.82 ENPEP (0.35) ACEENPEP

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-0535042-B1 ANGIOTENSIS CONVERTING ENZYME INHIBITORS FISONS PLC (GB) 1995-03-29 EP claimed
EP-0535042-A1 ANGIOTENSIS CONVERTING ENZYME INHIBITORS. FISONS PLC (GB) 1993-04-07 EP claimed
WO-1992000276-A2 ANGIOTENSIS CONVERTING ENZYME INHIBITORS FISONS PLC (GB) 1992-01-09 WO claimed