SCHEMBL8355012

SCHEMBL8355012

CC(C)(C)OC(=O)N[C@H]1CC(=O)OC1=O

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
NFKB1 P19838 5/20 0.50
NFKB2 Q00653 5/20 0.50
RELA Q04206 5/20 0.50
BTK Q06187 1/20 0.39
EPHX2 P34913 1/20 0.37
CTSK P43235 2/20 0.36
KDM1A O60341 1/20 0.36

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
SCHEMBL1661965 1.00 GAA (0.55) GAANFKB1NFKB2RELABTK
SCHEMBL1661966 1.00 GAA (0.55) GAANFKB1NFKB2RELABTK
SCHEMBL10054766 0.86 GAA (0.51) GAANFKB1NFKB2RELABTK
SCHEMBL7801965 0.84 GAA (0.37) GAANFKB1NFKB2RELA
SCHEMBL7403132 0.84 GAA (0.37) GAANFKB1NFKB2RELA
SCHEMBL7403136 0.84 GAA (0.37) GAANFKB1NFKB2RELA
SCHEMBL29217279 0.84 GAA (0.52) GAANFKB1NFKB2RELABTK
SCHEMBL19021605 0.84 GAA (0.52) GAANFKB1NFKB2RELABTK
SCHEMBL14159811 0.79 GAA (0.51) GAANFKB1NFKB2RELABTK
SCHEMBL14308598 0.78 GAA (0.47) GAANFKB1NFKB2RELABTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118085531-A Antibacterial injectable hydrogel 南方医科大学南方医院 2024-05-28 CN claimed
CN-118021716-A PH sensitive antibacterial hydrogel for injection 南方医科大学珠江医院 2024-05-14 CN claimed
CN-118085531-A Antibacterial injectable hydrogel 南方医科大学南方医院 2024-05-28 CN disclosed
CN-118085531-A Antibacterial injectable hydrogel 南方医科大学南方医院 2024-05-28 CN disclosed
CN-118063491-A Imide catalyst auxiliary agent, polyimide film and preparation method 中国科学院化学研究所 2024-05-24 CN disclosed
CN-118021716-A PH sensitive antibacterial hydrogel for injection 南方医科大学珠江医院 2024-05-14 CN disclosed
CN-118021716-A PH sensitive antibacterial hydrogel for injection 南方医科大学珠江医院 2024-05-14 CN disclosed
CN-117024476-A diphenylphosphonooxy-X-phenol compound, preparation method and application in preparation of aspartame 西北工业大学 2023-11-10 CN disclosed
US-6008058-A SYNTHESIZING AND SCREENING CYCLIC PEPTIDE LIBRARIES UNIVERSITY OF LOUISVILLE (US) 1999-12-28 US disclosed
EP-0638068-B1 PROCESS FOR THE MANUFACTURE OF (S)-3-AMINO-1-SUBSTITUTED-PYRROLIDINES WARNER LAMBERT CO (US) 1999-06-23 EP disclosed
EP-0911322-A2 1-Benzyl-3-(S)-[2-(S)-(tert-butoxy-carbonylamino) propionylamino] -pyrrolidine and its use as an intermediate WARNER-LAMBERT COMPANY (US) 1999-04-28 EP disclosed
CN-1032212-C N-protected alpha-L-aspartyl-L-methyl phenylalaninate MITSUI TOATSU CHEMICALS (JP) 1996-07-03 CN disclosed
EP-0638068-A1 PROCESS FOR THE MANUFACTURE OF (S)-3-AMINO-1-SUBSTITUTED-PYRROLIDINES WARNER-LAMBERT COMPANY (US) 1995-02-15 EP disclosed
EP-0334236-B1 Preparation of n-protected alpha-l-aspartyl-l-phenylalanine methyl ester MITSUI TOATSU CHEMICALS (JP) 1994-08-31 EP disclosed
US-5302743-A Reacting N-protected L-aspartic anhydride with L-phenylalanine methyl ester salt in non-aqueous solvent MITSUI TOATSU CHEMICALS, INC. (JP) 1994-04-12 US disclosed
WO-1993022283-A1 PROCESS FOR THE MANUFACTURE OF (S)-3-AMINO-1-SUBSTITUTED-PYRROLIDINES WARNER-LAMBERT COMPANY (US) 1993-11-11 WO disclosed
US-5250704-A Process for the manufacture of (S)-3-amino-1-substituted-pyrrolidines WARNER-LAMBERT COMPANY (US) 1993-10-05 US disclosed
US-5177217-A Process for the manufacture of (S)-3-amino-1-substituted-pyrrolidines WARNER-LAMBERT COMPANY (US) 1993-01-05 US disclosed
CN-1036581-A N-is protected the preparation method of 2-L-aspartyl-L-phenylalanine methyl esters MITSUI TOATSU CHEMICALS (JP) 1989-10-25 CN disclosed
EP-0334236-A2 Preparation of n-protected alpha-l-aspartyl-l-phenylalanine methyl ester MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-09-27 EP disclosed