SCHEMBL9845867

SCHEMBL9845867

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
GRIK1 P39086 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
CTSS P25774 3/20 0.36
CTSK P43235 3/20 0.36
SLC7A5 Q01650 2/20 0.36
GRIK2 Q13002 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CYP2D6 P10635 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35

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
SCHEMBL21407700 0.83 KMT2A (0.44) MEN1GAAKMT2AMAOAMAOB
SCHEMBL994583 0.80 MEN1 (0.53) MEN1GAAKMT2AMAOAMAOB
SCHEMBL994584 0.80 MEN1 (0.53) MEN1GAAKMT2AMAOAMAOB
SCHEMBL997508 0.80 MEN1 (0.53) MEN1GAAKMT2AMAOAMAOB
SCHEMBL23455605 0.79 MEN1 (0.46) MEN1GAAKMT2AMAOAMAOB
SCHEMBL23455458 0.79 MEN1 (0.46) MEN1GAAKMT2AMAOAMAOB
SCHEMBL4714065 0.78 TDP1 (0.52) MEN1GAAKMT2AMAOAMAOB
Chloromethane SCHEMBL17911911 0.78 MEN1 (0.51) MEN1GAAKMT2AMAOAMAOB
Hydrochloric Acid SCHEMBL668972 0.78 MEN1 (0.51) MEN1GAAKMT2AMAOAMAOB
Hydrochloric Acid SCHEMBL2681229 0.78 MEN1 (0.51) MEN1GAAKMT2AMAOAMAOB

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
EP-0414533-A1 Use of iodopropargyl esters of alpha-amino acid derivatives as antimicrobial agents ROHM AND HAAS COMPANY (US) 1991-02-27 EP disclosed