SCHEMBL5869332

SCHEMBL5869332

CC(C)CC(NC(=O)C(S)Cc1ccc(-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.87

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MME P08473 15/20 0.87
ACE P12821 12/20 0.81
CPA1 P15085 12/20 0.81
ACE2 Q9BYF1 12/20 0.81

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
SCHEMBL8255029 1.00 MME (0.87) MMEACECPA1ACE2
SCHEMBL5869120 0.93 MME (1.00) MMEACECPA1ACE2
SCHEMBL5869122 0.93 MME (1.00) MMEACECPA1ACE2
SCHEMBL5869127 0.93 MME (1.00) MMEACECPA1ACE2
SCHEMBL5869124 0.93 MME (1.00) MMEACECPA1ACE2
SCHEMBL5870542 0.93 MME (1.00) MMEACECPA1ACE2
SCHEMBL9068713 0.93 MME (1.00) MMEACECPA1ACE2
SCHEMBL8005905 0.87 MME (0.87) MMEACECPA1ACE2
SCHEMBL8861742 0.85 MME (0.88) MMEACECPA1ACE2
SCHEMBL8861738 0.85 MME (0.88) MMEACECPA1ACE2

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
US-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 US disclosed