SCHEMBL7445462

SCHEMBL7445462

O=C(N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O)C(CS)Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.76
ACE P12821 2/20 0.67
CPA1 P15085 1/20 0.67
ACE2 Q9BYF1 1/20 0.67
PPARG P37231 1/20 0.61
GPR34 Q9UPC5 1/20 0.60
HRH4 Q9H3N8 1/20 0.60

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
SCHEMBL6173139 0.87 MME (0.86) MMEHRH4
SCHEMBL6173142 0.87 MME (0.86) MMEHRH4
SCHEMBL6170941 0.86 MME (1.00) MMEACEHRH4
SCHEMBL6170943 0.86 MME (1.00) MMEACEHRH4
SCHEMBL6170689 0.85 ECE1 (0.66) MMEACE
SCHEMBL6168678 0.85 MME (0.82) MMEACECPA1ACE2HRH4
SCHEMBL6171524 0.85 MME (0.82) MMEACECPA1ACE2HRH4
SCHEMBL6169325 0.84 ACE (0.74) MMEACECPA1ACE2
SCHEMBL6169327 0.84 ACE (0.74) MMEACECPA1ACE2
SCHEMBL6171856 0.83 PPARG (0.62) MMEACECPA1ACE2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5262436-A Administering; enzyme inhibitor SCHERING CORPORATION (US) 1993-11-16 US disclosed
US-4929641-A DIURETICS, ANGIOTENSIN CONVERTING ENZYMES SCHERING CORPORATION (US) 1990-05-29 US disclosed
US-4801609-A Mercapto-acylamino acid antihypertensives SCHERING CORPORATION (US) 1989-01-31 US disclosed