SCHEMBL10787451

SCHEMBL10787451

COC(=O)[C@H](COC1CCCCC1)NC(=O)[C@@H](N)CC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.34
CASP6 P55212 1/20 0.34
CASP8 Q14790 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PADI1 Q9ULC6 1/20 0.34
PADI4 Q9UM07 1/20 0.34
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
F2R P25116 1/20 0.34
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
OPRK1 P41145 1/20 0.32
BIRC2 Q13490 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
TSHR P16473 1/20 0.32
MME P08473 1/20 0.32

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
SCHEMBL10793999 1.00 CASP3 (0.34) CASP3CASP6CASP8L3MBTL1PADI1
SCHEMBL10786297 0.99 SMN1; SMN2 (0.34) CASP3CASP6CASP8L3MBTL1PADI1
SCHEMBL10796885 0.97 SMN1; SMN2 (0.33) CASP3CASP6CASP8L3MBTL1PADI1
SCHEMBL10794745 0.89 SMN1; SMN2 (0.33) CASP3CASP6CASP8SMN1; SMN2GRIN1
SCHEMBL10797303 0.85 POLB (0.32) SMN1; SMN2GRIN1GRIN2BOPRK1BIRC2
SCHEMBL10792470 0.84 BIRC2 (0.32) OPRK1BIRC2
SCHEMBL10787539 0.84 SMN1; SMN2 (0.39) CASP3CASP6CASP8PADI1PADI4
SCHEMBL10788075 0.84 SMN1; SMN2 (0.39) CASP3CASP6CASP8PADI1PADI4
SCHEMBL10785949 0.84 SMN1; SMN2 (0.35) CASP3CASP6CASP8ITGB3ITGA2B
SCHEMBL27182716 0.84 CACNA1B (0.44) CASP3CASP6CASP8L3MBTL1PADI1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4622417-A DIETETICS GENERAL FOODS CORPORATION (US) 1986-11-11 US claimed
EP-0186173-A2 L-Aminodicarboxylic-(0-cycloalkyl)-L-aminocarboxylate alkyl esters, an edible composition containing same as sweeteners and a method for sweetening an edible composition GENERAL FOODS CORPORATION (US) 1986-07-02 EP claimed
US-4676989-A Sweetening with cycloalkyl ethers and thioethers of dipeptides GENERAL FOODS CORPORATION (US) 1987-06-30 US disclosed
US-4654219-A ARTIFICIAL SWEETENERS GENERAL FOODS CORPORATION (US) 1987-03-31 US disclosed
US-4638071-A ARTIFICIAL SWEETENERS GENERAL FOODS CORPORATION (US) 1987-01-20 US disclosed
US-4622417-A DIETETICS GENERAL FOODS CORPORATION (US) 1986-11-11 US disclosed
EP-0186173-A2 L-Aminodicarboxylic-(0-cycloalkyl)-L-aminocarboxylate alkyl esters, an edible composition containing same as sweeteners and a method for sweetening an edible composition GENERAL FOODS CORPORATION (US) 1986-07-02 EP disclosed