SCHEMBL8303941

SCHEMBL8303941

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

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 3/20 0.39
ACE P12821 9/20 0.37
PRSS1 P07477 1/20 0.37
TMPRSS15 P98073 1/20 0.37
LMNA P02545 1/20 0.35
ACE2 Q9BYF1 2/20 0.35
SPHK2 Q9NRA0 1/20 0.35
SPHK1 Q9NYA1 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
SCHEMBL8300106 0.90 FKBP1A (0.38) FKBP1AACEPRSS1TMPRSS15LMNA
SCHEMBL8301496 0.87 FKBP1A (0.38) FKBP1AACELMNAACE2
SCHEMBL8299271 0.87 FKBP1A (0.38) FKBP1AACELMNAACE2
SCHEMBL14600154 0.87 TMEM97 (0.38) FKBP1AACEPRSS1TMPRSS15SPHK2
SCHEMBL8299273 0.85 FKBP1A (0.41) FKBP1AACE
SCHEMBL8301478 0.85 FKBP1A (0.37) FKBP1AACEPRSS1TMPRSS15LMNA
SCHEMBL8303703 0.85 ACE (0.43) FKBP1AACEPRSS1TMPRSS15LMNA
SCHEMBL8300095 0.84 FKBP1A (0.37) FKBP1AACEPRSS1TMPRSS15LMNA
SCHEMBL8299270 0.84 ACE (0.36) FKBP1AACELMNAACE2
SCHEMBL8301474 0.83 ACE (0.36) FKBP1AACELMNAACE2

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