SCHEMBL21296426

SCHEMBL21296426

NC(=O)CCC(N)(C(=O)O)c1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.43
KIF11 P52732 1/20 0.42
SLC13A5 Q86YT5 1/20 0.39
CYP1A2 P05177 3/20 0.38
PTPN7 P35236 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 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
SCHEMBL21296425 1.00 PTPN1 (0.43) PTPN1KIF11SLC13A5CYP1A2PTPN7
SCHEMBL7743354 0.80 MEN1 (0.57) PTPN1KIF11SLC13A5CYP1A2PTPN7
SCHEMBL27505141 0.75 PTPN1 (0.44) PTPN1KIF11CYP1A2MEN1KMT2A
SCHEMBL29730901 0.73 MAPT (0.46) KIF11CYP1A2KMT2A
Hydrochloric Acid SCHEMBL27581398 0.72 PTPN1 (0.39) PTPN1KIF11
SCHEMBL4755686 0.71 CYP1A2 (0.51) PTPN1KIF11CYP1A2PTPN7KMT2A
SCHEMBL514964 0.71 CYP1A2 (0.51) PTPN1KIF11CYP1A2PTPN7KMT2A
SCHEMBL5970098 0.71 CYP1A2 (0.51) PTPN1KIF11CYP1A2PTPN7KMT2A
SCHEMBL10387901 0.70 CNR1 (0.40) PTPN1KIF11
SCHEMBL28762466 0.68 PPARA (0.43) PTPN1KIF11SLC13A5CYP1A2PTPN7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023081893-A1 INTRACELLULAR TARGETING OF OLIGONUCLEOTIDES ENTRADA THERAPEUTICS, INC. (US) 2023-05-11 WO disclosed
WO-2021127650-A1 COMPOSITIONS FOR DELIVERY OF ANTISENSE COMPOUNDS ENTRADA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
EP-3755351-A1 COMPOSITIONS AND METHODS FOR TREATING MITOCHONDRIAL NEUROGASTROINTESTINAL ENCEPHALOPATHY Entrada Therapeutics, Inc. (US) 2020-12-30 EP disclosed
WO-2019165183-A1 COMPOSITIONS AND METHODS FOR TREATING MITOCHONDRIAL NEUROGASTROINTESTINAL ENCEPHALOPATHY ENTRADA THERAPEUTICS, INC. (US) 2019-08-29 WO disclosed