SCHEMBL21752950

SCHEMBL21752950

CN(C(=O)O)N1C(=O)CC[C@@H](NC(=O)OCc2ccccc2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.48
PREP P48147 2/20 0.47
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NAAA Q02083 1/20 0.45
TSHR P16473 1/20 0.45
CASP3 P42574 1/20 0.44
GPR55 Q9Y2T6 1/20 0.43
CPB1 P15086 1/20 0.43

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
SCHEMBL23882012 0.94 CASP1 (0.49) CASP1PREPALDH1A1GAAMEN1
SCHEMBL20548177 0.83 NAAA (0.46) CASP1PREPALDH1A1GAANAAA
SCHEMBL8344263 0.78 MMP2 (0.49) CASP1PREPALDH1A1GAAMEN1
SCHEMBL21752944 0.77 CASP1 (0.49) CASP1PREPALDH1A1GAAMEN1
SCHEMBL425375 0.77 ALDH1A1 (0.58) PREPALDH1A1GAANAAATSHR
SCHEMBL13043801 0.76 CTSK (0.54) CASP1PREPALDH1A1GAANAAA
SCHEMBL14601914 0.76 CTSK (0.54) CASP1PREPALDH1A1GAANAAA
SCHEMBL8342335 0.75 XIAP (0.49) CASP1PREPALDH1A1GAANAAA
SCHEMBL28777589 0.75 CASP1 (0.48) CASP1PREPALDH1A1GAATSHR
SCHEMBL253913 0.75 ALDH1A1 (0.53) CASP1PREPALDH1A1GAANAAA

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
EP-3841099-A1 SUBSTITUTED GLUTARIMIDE DERIVATIVES BASF SE (DE) 2021-06-30 EP disclosed
WO-2020038821-A1 SUBSTITUTED GLUTARIMIDE DERIVATIVES BASF SE (DE) 2020-02-27 WO disclosed