SCHEMBL7975953

SCHEMBL7975953

CC(C)CC(S)C(=O)NC1(C(=O)NC(Cc2cccc3c2oc2ccccc23)C(=O)O)CCCC1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 18/20 0.53
MME P08473 1/20 0.45
ACE P12821 1/20 0.45
CPA1 P15085 1/20 0.45
ACE2 Q9BYF1 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
SCHEMBL7975857 0.86 ECE1 (0.57) ECE1MMEACECPA1ACE2
SCHEMBL7223833 0.81 ECE1 (0.73) ECE1ACE
SCHEMBL7224961 0.81 ECE1 (0.61) ECE1MMEACECPA1ACE2
SCHEMBL489801 0.81 ECE1 (0.73) ECE1ACE
SCHEMBL7448289 0.77 MME (0.58) ECE1MMEACECPA1ACE2
SCHEMBL7224136 0.77 ECE1 (0.64) ECE1MMEACECPA1ACE2
SCHEMBL7962318 0.76 ECE1 (0.56) ECE1MME
SCHEMBL7973783 0.76 ECE1 (0.63) ECE1MME
SCHEMBL7973787 0.76 ECE1 (0.63) ECE1MME
SCHEMBL7230086 0.75 ECE1 (0.60) ECE1MMEACECPA1ACE2

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
WO-2001077095-A2 DERIVATIVES OF ALPHA-MERCAPTOACETAMIDE NOVARTIS AG (CH) 2001-10-18 WO disclosed