SCHEMBL3718797

SCHEMBL3718797

C[C@H](CS(=O)(=O)c1ccccc1Cl)C(=O)N1CCCC1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 12/20 0.51
ACE2 Q9BYF1 5/20 0.51
REN P00797 4/20 0.51
KDM4E B2RXH2 1/20 0.51
F2 P00734 1/20 0.51
LMNA P02545 1/20 0.51
LTA4H P09960 1/20 0.51
MAPT P10636 1/20 0.51
PEPD P12955 1/20 0.51
ALOX15 P16050 1/20 0.51
PTGS1 P23219 1/20 0.51
HTR2A P28223 1/20 0.51
PTGS2 P35354 1/20 0.51
HRH1 P35367 1/20 0.51
THPO P40225 1/20 0.51
PMP22 Q01453 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL3716347 0.87 ACE (0.49) ACEACE2RENKDM4EF2
SCHEMBL3719499 0.85 ACE (0.45) ACEREN
SCHEMBL3724316 0.79 ACE (0.41) ACEACE2RENKDM4EF2
SCHEMBL696508 0.77 ACE (0.44) ACEACE2LMNALTA4H
SCHEMBL11497547 0.75 ACE (0.66) ACEACE2RENLTA4H
SCHEMBL11154195 0.73 ACE (0.67) ACEACE2RENKDM4EF2
SCHEMBL11476395 0.73 ACE (0.59) ACEACE2RENKDM4EF2
SCHEMBL9727630 0.73 ALDH1A1 (0.48) ACELTA4H
SCHEMBL11154597 0.73 ACE (0.67) ACEACE2RENKDM4EF2
SCHEMBL3718817 0.73 ACE (0.40) ACEREN

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-2010121918-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed