SCHEMBL19904731

SCHEMBL19904731

C=CCCOP(=O)(OCCC)Oc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL16588474 0.92 SRC (0.41) MEN1KMT2AL3MBTL1ALDH1A1PKM
SCHEMBL13430901 0.92 CYP3A4 (0.43)
SCHEMBL13430898 0.91 CA1 (0.46) MEN1KMT2AL3MBTL1
SCHEMBL1726069 0.87 MEN1 (0.56) MEN1KMT2AL3MBTL1ALDH1A1PKM
SCHEMBL13430907 0.87 BTN3A1 (0.41) MEN1KMT2AL3MBTL1PKM
SCHEMBL16597528 0.85 SRC (0.36) MEN1KMT2AL3MBTL1ALDH1A1PKM
SCHEMBL13430900 0.85 ANPEP (0.39) MEN1KMT2AL3MBTL1PKM
SCHEMBL1726270 0.84 MEN1 (0.56) MEN1KMT2AL3MBTL1PKM
SCHEMBL13430906 0.83 L3MBTL1 (0.38) MEN1KMT2AL3MBTL1ALDH1A1PKM
SCHEMBL16581628 0.82 LPAR3 (0.47) L3MBTL1ALDH1A1PKM

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-2097428-B1 BUTYRYLCHOLINESTERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES MGP BIOTECHNOLOGIES INC (US) 2018-02-28 EP disclosed