SCHEMBL14952979

SCHEMBL14952979

CCCCOC(=O)CC(Cc1ccc(-c2cccc(Cl)c2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMEL1 Q495T6 11/20 0.67
MME P08473 10/20 0.48
ACE P12821 5/20 0.47
CTSL P07711 1/20 0.44

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
SCHEMBL12975100 1.00 MMEL1 (0.67) MMEL1MMEACECTSL
SCHEMBL12975086 0.94 MMEL1 (0.59) MMEL1MMEACECTSL
SCHEMBL2779899 0.91 MMEL1 (0.62) MMEL1MMEACECTSL
SCHEMBL2779890 0.91 MMEL1 (0.62) MMEL1MMEACECTSL
SCHEMBL6122512 0.86 MMEL1 (0.53) MMEL1MMEACECTSL
SCHEMBL8532740 0.86 MMEL1 (0.53) MMEL1MMEACECTSL
SCHEMBL3703250 0.85 MMEL1 (0.51) MMEL1MMEACECTSL
SCHEMBL16588774 0.85 MMEL1 (0.51) MMEL1MMEACECTSL
SCHEMBL1912590 0.85 MMEL1 (0.67) MMEL1MMEACE
SCHEMBL17993645 0.84 MME (0.51) MMEL1MME

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-2594556-A1 Substituted aminopropionic derivatives as neprilysin inhibitors Novartis AG (CH) 2013-05-22 EP disclosed