SCHEMBL7322749

SCHEMBL7322749

CC(CS)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACE P12821 14/20 0.56
MME P08473 3/20 0.56
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52

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
SCHEMBL9068925 1.00 ACE (0.56) ACEMMECA1CA2
SCHEMBL27338453 0.88 ACE (0.57) ACEMMECA1CA2
SCHEMBL6163836 0.85 MME (0.70) ACEMME
SCHEMBL547144 0.84 KDM4E (0.58) ACEMMECA1CA2
SCHEMBL9432921 0.84 KDM4E (0.58) ACEMMECA1CA2
SCHEMBL30232700 0.84 KDM4E (0.58) ACEMMECA1CA2
SCHEMBL27830772 0.84 KDM4E (0.58) ACEMMECA1CA2
SCHEMBL7323041 0.83 MME (0.52) ACEMMECA1CA2
SCHEMBL31355569 0.82 CA2 (0.57) ACEMMECA1CA2
SCHEMBL9068932 0.82 MME (0.69) ACEMME

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-4401677-A Enkephalinase inhibitors E. R. SQUIBB & SONS, INC. (US) 1983-08-30 US claimed
US-4339600-A ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1982-07-13 US claimed
US-5496805-A DIURETIC, HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1996-03-05 US disclosed
US-4474795-A ANALGESICS, MERCAPTO-ALKANOYL AMINO ACIDS E. R. SQUIBB & SONS, INC. (US) 1984-10-02 US disclosed
US-4474799-A Enkephalinase inhibitors E. R. SQUIBB & SONS, INC. (US) 1984-10-02 US disclosed
US-4401677-A Enkephalinase inhibitors E. R. SQUIBB & SONS, INC. (US) 1983-08-30 US disclosed
US-4339600-A ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1982-07-13 US disclosed