SCHEMBL7438876

SCHEMBL7438876

COC(=O)C[C@H](NC(=O)C(C)CSC(C)=O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACE P12821 11/20 0.44
MME P08473 3/20 0.44
ECE1 P42892 2/20 0.35

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
SCHEMBL7438882 1.00 ACE (0.44) ACEMMEECE1
SCHEMBL7433763 0.86 ACE (0.43) ACEMME
SCHEMBL7433759 0.86 ACE (0.43) ACEMME
SCHEMBL9069230 0.81 ACE (0.49) ACEMME
SCHEMBL9069293 0.80 ALDH1A1 (0.56) ACEMME
SCHEMBL9069245 0.78 NAALAD2 (0.51) ACEMME
SCHEMBL6504674 0.77 ACE (0.43) ACEMMEECE1
SCHEMBL9068558 0.77 LMNA (0.45) ACEMME
SCHEMBL11272524 0.75 ACE (0.43) ACEMMEECE1
SCHEMBL25491158 0.74 ECE1 (0.44) ACEMMEECE1

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
EP-0384636-A1 Pharmaceutically active compounds FISONS plc (GB) 1990-08-29 EP disclosed