SCHEMBL9439082

SCHEMBL9439082

CCOC(=O)C(CSCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 15/20 0.76
LMNA P02545 2/20 0.76
SMN1; SMN2 Q16637 1/20 0.70
ABCB11 O95342 2/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
USP2 O75604 1/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX15 P16050 1/20 0.52
PDE3A Q14432 1/20 0.49
ACE2 Q9BYF1 1/20 0.49

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
SCHEMBL9439087 1.00 ACE (0.76) ACELMNASMN1; SMN2ABCB11MEN1
SCHEMBL10822013 1.00 ACE (0.76) ACELMNASMN1; SMN2ABCB11MEN1
SCHEMBL10521410 1.00 ACE (0.76) ACELMNASMN1; SMN2ABCB11MEN1
SCHEMBL10521405 1.00 ACE (0.76) ACELMNASMN1; SMN2ABCB11MEN1
SCHEMBL10822014 1.00 ACE (0.76) ACELMNASMN1; SMN2ABCB11MEN1
Hydrochloric Acid SCHEMBL9438960 0.99 ACE (0.75) ACELMNASMN1; SMN2ABCB11MEN1
Hydrochloric Acid SCHEMBL10520208 0.99 ACE (0.75) ACELMNASMN1; SMN2ABCB11MEN1
SCHEMBL9439207 0.92 ACE (0.65) ACELMNASMN1; SMN2ABCB11MEN1
SCHEMBL9439200 0.92 ACE (0.65) ACELMNASMN1; SMN2ABCB11MEN1
SCHEMBL9438793 0.89 ACE (0.73) ACELMNASMN1; SMN2ACE2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0050800-B1 CARBOXYALKYL DIPEPTIDES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1986-06-18 EP claimed
EP-0050800-A1 Carboxyalkyl dipeptides, processes for their production and pharmaceutical compositions containing them SCHERING CORPORATION (US) 1982-05-05 EP claimed
US-5348944-A Hypotensive agents SCHERING CORPORATION (US) 1994-09-20 US disclosed
EP-0050800-B1 CARBOXYALKYL DIPEPTIDES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1986-06-18 EP disclosed
EP-0050800-A1 Carboxyalkyl dipeptides, processes for their production and pharmaceutical compositions containing them SCHERING CORPORATION (US) 1982-05-05 EP disclosed