SCHEMBL8301496

SCHEMBL8301496

C[C@H](CSC(=O)OCCCON(O)O)C(=O)N1CCC[C@H]1C(=O)Oc1cccc(CON(O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 8/20 0.38
ACE P12821 6/20 0.38
ACE2 Q9BYF1 1/20 0.38
LMNA P02545 1/20 0.35

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
SCHEMBL8299271 0.98 FKBP1A (0.38) FKBP1AACEACE2LMNA
SCHEMBL8300106 0.91 FKBP1A (0.38) FKBP1AACEACE2LMNA
SCHEMBL8303941 0.87 FKBP1A (0.39) FKBP1AACEACE2LMNA
SCHEMBL8299270 0.85 ACE (0.36) FKBP1AACEACE2LMNA
SCHEMBL8301478 0.85 FKBP1A (0.37) FKBP1AACEACE2LMNA
SCHEMBL14600164 0.85 ACE (0.37) FKBP1AACEACE2LMNA
SCHEMBL8301474 0.85 ACE (0.36) FKBP1AACEACE2LMNA
SCHEMBL14600165 0.83 ACE (0.37) FKBP1AACEACE2LMNA
SCHEMBL8303777 0.81 FKBP1A (0.38) FKBP1AACEACE2LMNA
SCHEMBL8303029 0.81 FKBP1A (0.38) FKBP1AACEACE2LMNA

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