SCHEMBL9834732

SCHEMBL9834732

CC(C)CCS(=O)(=O)CC[C@H](O)[C@@H](N)CC(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 6/20 0.41
DNPEP Q9ULA0 2/20 0.41
SLC7A5 Q01650 1/20 0.32
RNPEP Q9H4A4 2/20 0.32
LAP3 P28838 2/20 0.31
ERAP1 Q9NZ08 1/20 0.31
GCLC P48506 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL9834869 1.00 ANPEP (0.41) ANPEPDNPEPSLC7A5RNPEPLAP3
SCHEMBL7396177 0.79 CA2 (0.44) ANPEPDNPEPRNPEPLAP3ERAP1
SCHEMBL7396180 0.79 CA2 (0.44) ANPEPDNPEPRNPEPLAP3ERAP1
SCHEMBL7281691 0.78 ANPEP (0.46) ANPEPDNPEPSLC7A5RNPEPLAP3
SCHEMBL7441410 0.78 ANPEP (0.46) ANPEPDNPEPSLC7A5RNPEPLAP3
Hydrochloric Acid SCHEMBL7441882 0.76 ANPEP (0.44) ANPEPDNPEPSLC7A5RNPEPLAP3
SCHEMBL3167161 0.74 GAA (0.34) GCLCALDH1A1
SCHEMBL9831063 0.72 ANPEP (0.46) ANPEPDNPEPSLC7A5RNPEPLAP3
SCHEMBL7378006 0.71 ALDH1A1 (0.43) ANPEPDNPEPSLC7A5LAP3ERAP1
SCHEMBL19724156 0.71 CYP2D6 (0.42) ANPEPDNPEPSLC7A5LAP3ERAP1

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-0258289-A4 PEPTIDE ANALOGS 1991-01-02 EP disclosed
US-4857507-A HYPOTENSIVE AGENT ABBOTT LABORATORIES (US) 1989-08-15 US disclosed
EP-0258289-A1 PEPTIDE ANALOGS ABBOTT LABORATORIES (US) 1988-03-09 EP disclosed
WO-1987004349-A1 PEPTIDE ANALOGS DELLARIA JOSEPH 1987-07-30 WO disclosed