SCHEMBL28399571

SCHEMBL28399571

CC(C)C(NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)OCc1ccccc1)C(=O)NC(CC(N)=O)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 13/20 0.70
CASP7 P55210 9/20 0.70
CASP1 P29466 6/20 0.70
CASP9 P55211 5/20 0.70
CASP4 P49662 3/20 0.60
CASP10 Q92851 3/20 0.60
CASP8 Q14790 2/20 0.60
CASP5 P51878 1/20 0.60
CASP6 P55212 1/20 0.60
BACE1 P56817 5/20 0.54
MME P08473 1/20 0.54
ECE1 P42892 1/20 0.54
CTSD P07339 1/20 0.52

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
SCHEMBL29362585 0.95 CASP3 (0.76) CASP3CASP7CASP1CASP9CASP4
SCHEMBL28540771 0.94 CASP3 (0.68) CASP3CASP7CASP1CASP9CASP4
SCHEMBL20239336 0.92 CASP3 (0.71) CASP3CASP7CASP1CASP9CASP4
SCHEMBL29732392 0.92 CASP3 (0.71) CASP3CASP7CASP1CASP9CASP4
SCHEMBL17326941 0.89 CASP3 (0.72) CASP3CASP7CASP1CASP9CASP4
SCHEMBL31003038 0.88 CASP3 (0.67) CASP3CASP7CASP1CASP9CASP4
SCHEMBL11121980 0.87 MME (0.60) CASP1MMEECE1
SCHEMBL13823621 0.86 CASP3 (0.65) CASP3CASP7CASP1CASP9CASP4
SCHEMBL30002726 0.86 CASP3 (0.69) CASP3CASP7CASP1CASP9CASP4
SCHEMBL16770334 0.85 CASP3 (0.68) CASP3CASP7CASP1CASP9CASP4

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
CN-111225686-A Treatment of inflammatory diseases using ingestible devices to release immunomodulators 普罗根尼蒂公司 2020-06-02 CN disclosed