SCHEMBL6170943

SCHEMBL6170943

O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(CS)Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 1.00
ACE P12821 3/20 0.75
HRH4 Q9H3N8 1/20 0.66

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
SCHEMBL6170941 1.00 MME (1.00) MMEACEHRH4
SCHEMBL6173142 0.93 MME (0.86) MMEHRH4
SCHEMBL6173139 0.93 MME (0.86) MMEHRH4
SCHEMBL6171524 0.90 MME (0.82) MMEACEHRH4
SCHEMBL6168678 0.90 MME (0.82) MMEACEHRH4
SCHEMBL11438800 0.89 MME (0.79) MMEHRH4
SCHEMBL9622564 0.88 ACE (0.81) MMEACE
SCHEMBL9622561 0.88 ACE (0.81) MMEACE
SCHEMBL11438893 0.88 MME (0.78) MMEACE
SCHEMBL9068751 0.87 MME (0.77) MMEHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6048852-A BACTERICIDES SMITHKLINE BEECHAM P.L.C. (GB) 2000-04-11 US claimed
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
US-6048852-A BACTERICIDES SMITHKLINE BEECHAM P.L.C. (GB) 2000-04-11 US disclosed
EP-0900197-A1 BETA-THIOPROPIONYL-AMINOACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1999-03-10 EP disclosed
WO-1997030027-A1 BETA-THIOPROPIONYL-AMINOACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1997-08-21 WO disclosed
US-5496805-A DIURETIC, HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1996-03-05 US disclosed