SCHEMBL11271671

SCHEMBL11271671

O=C(O)[C@H](CCc1ccccc1)NCC(=O)N1[C@@H](c2ccccc2O)SC[C@H]1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 13/20 0.59
▸ FFAR2 O15552 1/20 0.41

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
SCHEMBL10940814 1.00 ACE (0.59) ACEFFAR2
SCHEMBL11271681 1.00 ACE (0.59) ACEFFAR2
SCHEMBL11271666 1.00 ACE (0.59) ACEFFAR2
SCHEMBL10943437 0.90 ACE (0.54) ACE
SCHEMBL11281944 0.90 ACE (0.54) ACE
SCHEMBL11274594 0.90 ACE (0.54) ACE
SCHEMBL11281946 0.90 ACE (0.54) ACE
SCHEMBL10943539 0.86 ACE (0.46) ACE
SCHEMBL10730793 0.85 ACE (0.53) ACEFFAR2
SCHEMBL11006854 0.83 ACE (0.71) ACE

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
EP-0059966-A1 Substituted thiazolidine carboxylic acid analogs and derivatives as antihypertensives MERCK & CO. INC. (US) 1982-09-15 — — EP claimed
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