SCHEMBL10825005

SCHEMBL10825005

CCSC[C@H](NC(=O)C(CS)Cc1ccc(OC)cc1)C(=O)O

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.79

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
SCHEMBL7441105 0.88 ACE (1.00) ACE
SCHEMBL7273504 0.87 ACE (0.69) ACE
SCHEMBL6169327 0.81 ACE (0.74) ACE
SCHEMBL6169325 0.81 ACE (0.74) ACE
SCHEMBL8861637 0.80 MME (0.73) ACE
SCHEMBL8861639 0.80 MME (0.73) ACE
SCHEMBL5695591 0.77 ACE (1.00) ACE
SCHEMBL7431829 0.76 ACE (0.81) ACE
SCHEMBL7444467 0.76 ACE (0.81) ACE
SCHEMBL11357751 0.76 LDHA (0.67) ACE

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-61165362-A None JP disclosed
JP-S61165362-A MERCAPTO FATTY ACID DERIVATIVE AND USE THEREOF MEITO SANGYO KK 1986-07-26 JP disclosed