SCHEMBL6169327

SCHEMBL6169327

COc1ccc(-c2ccc(C[C@H](NC(=O)C(CS)Cc3ccccc3)C(=O)O)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.74
MME P08473 7/20 0.69
CPA1 P15085 3/20 0.59
ACE2 Q9BYF1 3/20 0.59

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
SCHEMBL6169325 1.00 ACE (0.74) ACEMMECPA1ACE2
SCHEMBL6168678 0.91 MME (0.82) ACEMMECPA1ACE2
SCHEMBL6171524 0.91 MME (0.82) ACEMMECPA1ACE2
SCHEMBL6173142 0.85 MME (0.86) MME
SCHEMBL6173139 0.85 MME (0.86) MME
SCHEMBL6171516 0.85 ACE (0.60) ACEMMECPA1ACE2
SCHEMBL6171518 0.85 ACE (0.60) ACEMMECPA1ACE2
SCHEMBL7441105 0.85 ACE (1.00) ACE
SCHEMBL7445462 0.84 MME (0.76) ACEMMECPA1ACE2
SCHEMBL6159992 0.82 MME (0.69) ACEMMECPA1ACE2

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 2 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