SCHEMBL7399057

SCHEMBL7399057

CSCC[C@H](OC(=O)[C@H](C)CS)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.44
FOLH1 Q04609 5/20 0.36
ENPEP Q07075 3/20 0.35
ANPEP P15144 1/20 0.35
CYP1A2 P05177 1/20 0.32

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
SCHEMBL7399053 1.00 RNPEP (0.44) RNPEPFOLH1ENPEPANPEPCYP1A2
SCHEMBL7397201 0.86 FOLH1 (0.33) FOLH1ENPEPCYP1A2
SCHEMBL7397199 0.86 FOLH1 (0.33) FOLH1ENPEPCYP1A2
SCHEMBL6472491 0.85 ENPEP (0.35) RNPEPENPEPCYP1A2
SCHEMBL3218126 0.85 ENPEP (0.35) RNPEPENPEPCYP1A2
SCHEMBL3218131 0.85 ENPEP (0.35) RNPEPENPEPCYP1A2
Amantadine SCHEMBL7395239 0.84 ALDH1A1 (0.40) RNPEP
Amantadine SCHEMBL7395243 0.84 ALDH1A1 (0.40) RNPEP
SCHEMBL7397575 0.83 ENPEP (0.34) RNPEPENPEPCYP1A2
SCHEMBL7397297 0.83 ENPEP (0.34) RNPEPENPEPCYP1A2

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 4 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
US-5348978-A Angiotensin converting enzyme inhibitors FISONS PLC (GB) 1994-09-20 US 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