SCHEMBL6172199

SCHEMBL6172199

CC(=O)SC[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.69
MME P08473 3/20 0.67
ACE P12821 2/20 0.62
ECE1 P42892 1/20 0.62
ALOX15 P16050 1/20 0.61

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
SCHEMBL6172205 1.00 LTA4H (0.69) LTA4HMMEACEECE1ALOX15
SCHEMBL11430738 0.94 ACE (0.67) LTA4HMMEACEECE1ALOX15
SCHEMBL6171219 0.93 MME (0.71) LTA4HMMEACEECE1ALOX15
SCHEMBL7323834 0.91 LTA4H (0.58) LTA4HMME
SCHEMBL7323829 0.91 LTA4H (0.58) LTA4HMME
SCHEMBL7323825 0.91 LTA4H (0.58) LTA4HMME
SCHEMBL6169855 0.91 LTA4H (0.59) LTA4HMMEACEECE1
SCHEMBL6171860 0.91 LTA4H (0.61) LTA4HMMEACEECE1ALOX15
SCHEMBL9068531 0.89 ECE1 (0.75) ACEECE1ALOX15
SCHEMBL6171453 0.89 LTA4H (0.68) LTA4HMMEACEECE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888341-B1 NOVEL SULPHUR DERIVATIVES COMPRISING AN AMIDE BOND, METHOD FOR PREPARING SAME, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH DERIVATIVES AVENTIS PHARMA SA (FR) 2005-11-30 EP disclosed
US-6136842-A INHIBITION OF ENDOTHELIN-CONVERTING ENZYME HOECHST MARION ROUSSEL (FR) 2000-10-24 US disclosed
EP-0888341-A1 NOVEL SULPHUR DERIVATIVES COMPRISING AN AMIDE BOND, METHOD FOR PREPARING SAME, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH DERIVATIVES HOECHST MARION ROUSSEL (FR) 1999-01-07 EP disclosed
WO-1997032874-A1 NOVEL SULPHUR DERIVATIVES COMPRISING AN AMIDE BOND, METHOD FOR PREPARING SAME, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH DERIVATIVES HOECHST MARION ROUSSEL (FR) 1997-09-12 WO disclosed