SCHEMBL19904728

SCHEMBL19904728

CCCCOP(=O)(OCCCC)Oc1ccc(CCCCOP(=O)(OCCCC)Oc2ccc(Cl)cc2Cl)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
PTGDR Q13258 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
GLA P06280 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
SCHEMBL19904757 0.93 GAA (0.43) GAAMAPK1TDP1ALDH1A1L3MBTL1
SCHEMBL3228871 0.84 GAA (0.56) GAAMAPK1TDP1ALDH1A1L3MBTL1
SCHEMBL3230831 0.82 GAA (0.56) GAAMAPK1TDP1ALDH1A1L3MBTL1
SCHEMBL30722914 0.82 GAA (0.56) GAAMAPK1TDP1ALDH1A1L3MBTL1
SCHEMBL19904746 0.76 L3MBTL1 (0.50) GAAMAPK1TDP1ALDH1A1L3MBTL1
SCHEMBL4431205 0.73 CYP3A4 (0.50) GAAMAPK1L3MBTL1MEN1KMT2A
SCHEMBL3234851 0.72 CYP3A4 (0.53) L3MBTL1MEN1KMT2A
SCHEMBL17355861 0.72 CYP3A4 (0.46) GAAMEN1KMT2A
SCHEMBL27042296 0.72 KMT2A (0.50) KMT2A
SCHEMBL19904719 0.71 GLA (0.41) TDP1L3MBTL1SMN1; SMN2GLA

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