SCHEMBL8301478

SCHEMBL8301478

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

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 4/20 0.37
BCHE P06276 2/20 0.36
ACE P12821 7/20 0.35
ACE2 Q9BYF1 4/20 0.35
PRCP P42785 1/20 0.34
PRSS1 P07477 1/20 0.33
TMPRSS15 P98073 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL8300095 0.92 FKBP1A (0.37) FKBP1ABCHEACEACE2PRCP
SCHEMBL8300106 0.90 FKBP1A (0.38) FKBP1AACEACE2PRSS1TMPRSS15
SCHEMBL8301474 0.90 ACE (0.36) FKBP1AACEACE2LMNA
SCHEMBL8299270 0.87 ACE (0.36) FKBP1AACEACE2LMNA
SCHEMBL8299271 0.87 FKBP1A (0.38) FKBP1AACEACE2LMNA
SCHEMBL14600132 0.86 TMEM97 (0.37) FKBP1ABCHEACEACE2PRCP
SCHEMBL8303703 0.86 ACE (0.43) FKBP1AACEACE2PRSS1TMPRSS15
SCHEMBL8301496 0.85 FKBP1A (0.38) FKBP1AACEACE2LMNA
SCHEMBL8303941 0.85 FKBP1A (0.39) FKBP1AACEACE2PRSS1TMPRSS15
SCHEMBL14600129 0.84 TMEM97 (0.36) FKBP1ABCHEACEACE2PRCP

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