SCHEMBL8420112

SCHEMBL8420112

CSC[C@H](NC(=O)[C@H](NC(=O)[C@H](CC(=O)O)NCCC(C)(C)C)C(C)C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 14/20 0.46
CASP8 Q14790 11/20 0.46
CASP1 P29466 8/20 0.46
CASP7 P55210 8/20 0.46
BACE1 P56817 3/20 0.38
CASP4 P49662 1/20 0.37
CASP6 P55212 1/20 0.37
MMP2 P08253 3/20 0.37
MMP3 P08254 2/20 0.37

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
SCHEMBL8323771 0.77 RRM1 (0.37) CASP3CASP8CASP1CASP7
SCHEMBL5691576 0.71 MME (0.52) MMP2MMP3
SCHEMBL759233 0.71 MME (0.52) MMP2MMP3
SCHEMBL6904234 0.71 MME (0.52) MMP2MMP3
SCHEMBL19952964 0.69 MAPT (0.34) CASP3CASP8MMP2MMP3
SCHEMBL27521568 0.69 RIPK1 (0.41) MMP2MMP3
SCHEMBL28868942 0.69 RIPK1 (0.41) MMP2MMP3
SCHEMBL4311 0.68 ALDH1A1 (0.55)
SCHEMBL12202138 0.68 MME (0.41) MMP2MMP3
SCHEMBL5053951 0.68 ALDH1A1 (0.55)

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-0818463-B1 Aspartyl dipeptide amide derivatives and sweeteners AJINOMOTO KK (JP) 1999-09-29 EP disclosed
EP-0818463-A1 Aspartyl dipeptide amide derivatives and sweeteners Ajinomoto Co., Ltd. (JP) 1998-01-14 EP disclosed