SCHEMBL11265707

SCHEMBL11265707

CC(=O)SCC(C)C(=O)N1COC(C)C1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.46
KMT2A Q03164 1/20 0.33
MME P08473 1/20 0.33

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
SCHEMBL11268028 0.82 ACE (0.32) ACE
SCHEMBL11277867 0.80 ACE (0.49) ACE
SCHEMBL20697815 0.78 PIK3CD (0.35)
SCHEMBL11262188 0.76 ACE (0.55) ACEKMT2A
SCHEMBL7378968 0.75 ACE (0.48) ACE
SCHEMBL11264120 0.75 ACE (0.44) ACEKMT2A
SCHEMBL11264125 0.75 ACE (0.44) ACEKMT2A
SCHEMBL11450137 0.73 ACE (0.46) ACE
SCHEMBL11450681 0.73 ACE (0.46) ACE
SCHEMBL11450135 0.73 ACE (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4321392-A Mercaptoacyl derivatives of 4-oxazolidine-carboxylic acids E. R. SQUIBB & SONS, INC. (US) 1982-03-23 US disclosed