SCHEMBL9687617

SCHEMBL9687617

CN(C)C(=O)[C@@H]1C[C@H](SC(=O)c2ccccc2)CN1OC(=O)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.32
KMT2A Q03164 1/20 0.32
ECE1 P42892 1/20 0.31
PDK2 Q15119 1/20 0.31

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
SCHEMBL9686556 0.76 UCHL1 (0.44) ACEKMT2AECE1
SCHEMBL8758757 0.76 ECE1 (0.39) ECE1
SCHEMBL6399437 0.73 ACE (0.36) ACEKMT2A
SCHEMBL2495233 0.72
SCHEMBL2496918 0.72
SCHEMBL4486166 0.72
SCHEMBL2495784 0.72
SCHEMBL9617147 0.72 CHRM1 (0.38) ACEKMT2AECE1
Trifluoroacetic Acid SCHEMBL9687612 0.69 CHEK1 (0.40) KMT2A
SCHEMBL5357783 0.68 AVPR2 (0.31)

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-0472062-A1 Beta-lactam compounds, and their production and use SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1992-02-26 EP disclosed