SCHEMBL8303943

SCHEMBL8303943

CC(OC(=O)SC[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C=O)Cc1ccccc1)ON(O)O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE P12821 8/20 0.44
F2 P00734 2/20 0.42
PLG P00747 1/20 0.42
ACE2 Q9BYF1 5/20 0.42
CAPN1 P07384 2/20 0.41
TACR1 P25103 2/20 0.40
CTRB1 P17538 1/20 0.40
CMA1 P23946 1/20 0.40

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
SCHEMBL8280242 0.85 ACE (0.49) ACEF2PLGACE2CAPN1
SCHEMBL8303805 0.84 F2 (0.45) ACEF2PLGACE2CAPN1
SCHEMBL8302053 0.83 ACE (0.43) ACEF2PLGACE2CAPN1
SCHEMBL8302159 0.82 ACE (0.46) ACEF2PLGACE2CTRB1
SCHEMBL8299258 0.78 ACE (0.52) ACEF2ACE2
SCHEMBL14600191 0.77 CMA1 (0.53) ACEACE2TACR1CMA1
SCHEMBL8302113 0.76 ACE (0.48) ACEF2ACE2TACR1CTRB1
SCHEMBL13599070 0.75 ELANE (0.56) F2PLGCMA1
SCHEMBL11284841 0.74 CMA1 (0.52) ACEACE2CMA1
SCHEMBL11285943 0.74 CMA1 (0.52) ACEACE2CMA1

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
WO-2004106300-A1 CAPTOPRIL DERIVATIVES NICOX S.A. (FR) 2004-12-09 WO disclosed