SCHEMBL9068638

SCHEMBL9068638

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

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MME P08473 8/20 0.58
ACE P12821 7/20 0.50
CPA1 P15085 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
ECE1 P42892 1/20 0.45

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
SCHEMBL9067110 0.84 MME (0.67) MMEACEECE1
SCHEMBL4371284 0.81 MME (0.72) MMEACE
SCHEMBL11487873 0.79 MME (0.55) MMEACECPA1ACE2ECE1
SCHEMBL2871612 0.78 MME (0.68) MMEACEECE1
SCHEMBL2977232 0.78 SLC1A3 (0.56) MMECPA1
SCHEMBL841290 0.78 SLC1A3 (0.56) MMECPA1
SCHEMBL2967728 0.78 SLC1A3 (0.56) MMECPA1
SCHEMBL4288816 0.77 MMP2 (0.63) MMEECE1
SCHEMBL11483997 0.77 MME (0.54) MMEACECPA1ACE2ECE1
SCHEMBL23408778 0.76 ACE (0.48) 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-5496805-A DIURETIC, HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1996-03-05 US disclosed