SCHEMBL8771869

SCHEMBL8771869

CC(C)OC(=O)N(C(C)C[S+]([O-])c1ccc(F)cc1)[C@H](C(N)=O)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL8771888 0.79 ALDH1A1 (0.36) MAPTALDH1A1
SCHEMBL8771892 0.77 MAPT (0.33) MAPTALDH1A1
SCHEMBL8896743 0.66 ALOX5 (0.41) MAPTALDH1A1
SCHEMBL8771884 0.66 POLB (0.37) MAPTALDH1A1
SCHEMBL8896175 0.65 ALOX5 (0.40)
SCHEMBL8771881 0.65 MEN1 (0.36) MAPT
SCHEMBL8771912 0.65 KDM4E (0.42) MAPTALDH1A1
SCHEMBL9229600 0.64 MAPT (0.34) MAPT
SCHEMBL5600996 0.64
SCHEMBL8771835 0.64 SCN9A (0.34) MAPT

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-0648740-B1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-10-08 EP disclosed