SCHEMBL7975857

SCHEMBL7975857

CC(C)C[C@H](S)C(=O)NC1(C(=O)N[C@@H](Cc2ccc3c(c2)oc2ccccc23)C(=O)O)CCCC1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 17/20 0.57
MME P08473 2/20 0.49
ACE P12821 1/20 0.49
CPA1 P15085 1/20 0.49
ACE2 Q9BYF1 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL7962318 0.90 ECE1 (0.56) ECE1MMEMEN1KMT2A
SCHEMBL7973787 0.90 ECE1 (0.63) ECE1MMEMEN1KMT2A
SCHEMBL7973783 0.90 ECE1 (0.63) ECE1MMEMEN1KMT2A
SCHEMBL7975841 0.88 ECE1 (0.51) ECE1MMEACECPA1ACE2
SCHEMBL7975843 0.88 ECE1 (0.51) ECE1MMEACECPA1ACE2
SCHEMBL7962528 0.87 ECE1 (0.54) ECE1MMEACECPA1ACE2
SCHEMBL7962587 0.87 ECE1 (0.54) ECE1MMEACECPA1ACE2
SCHEMBL7975953 0.86 ECE1 (0.53) ECE1MMEACECPA1ACE2
SCHEMBL7975859 0.82 ECE1 (0.49) ECE1MMEMEN1KMT2A
SCHEMBL7962321 0.80 ECE1 (0.49) ECE1MMEMEN1KMT2A

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