SCHEMBL11458690

SCHEMBL11458690

CC(=O)SC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)NO

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.48
KMT2A Q03164 1/20 0.32
REN P00797 1/20 0.32

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
SCHEMBL11458689 1.00 ACE (0.48) ACEKMT2AREN
SCHEMBL11502463 0.85 ACE (0.66) ACEKMT2A
SCHEMBL11490158 0.85 ACE (0.66) ACEKMT2A
SCHEMBL10974472 0.85 ACE (0.66) ACEKMT2A
SCHEMBL11355229 0.85 ACE (0.48) ACEKMT2A
SCHEMBL11390755 0.78 ACE (0.53) ACE
SCHEMBL11383648 0.73 ACE (0.56) ACE
SCHEMBL11402343 0.72 ACE (0.59) ACEKMT2A
SCHEMBL11402339 0.72 ACE (0.59) ACEKMT2A
SCHEMBL11405844 0.72 ACE (0.71) ACEREN

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-55031022-A None JP disclosed
JP-S5531022-A HYDROXAMIC ACID DERIVATIVE AND ITS PREPARATION YOSHITOMI PHARMACEUT IND LTD 1980-03-05 JP disclosed