SCHEMBL4427148

SCHEMBL4427148

CCCCc1ccc(OP(=O)(O)O)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
S1PR1 P21453 4/20 0.46
S1PR3 Q99500 3/20 0.46
S1PR2 O95136 1/20 0.46
LPAR2 Q9HBW0 1/20 0.46
ATM Q13315 1/20 0.43
INPPL1 O15357 3/20 0.43
INPP5A Q14642 2/20 0.43
INPP5B P32019 1/20 0.43
ENPP2 Q13822 1/20 0.42
BACE1 P56817 1/20 0.41
PLK1 P53350 1/20 0.41

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
SCHEMBL11383659 0.86 S1PR1 (0.50) GLASMN1; SMN2S1PR1S1PR3S1PR2
SCHEMBL6480565 0.84 INPPL1 (0.44) SMN1; SMN2S1PR1S1PR3S1PR2INPPL1
SCHEMBL27778654 0.82 INPPL1 (0.43) SMN1; SMN2S1PR1S1PR3S1PR2INPPL1
SCHEMBL29282874 0.80 S1PR1 (0.41) S1PR1S1PR3S1PR2INPPL1INPP5A
SCHEMBL10978864 0.80 GLA (0.44) GLASMN1; SMN2S1PR1S1PR3S1PR2
SCHEMBL21407745 0.80 NPC1 (0.50) SMN1; SMN2INPPL1INPP5AINPP5B
SCHEMBL13241453 0.78 SMN1; SMN2 (0.56) GLASMN1; SMN2ATM
SCHEMBL5085353 0.77 S1PR1 (0.41) S1PR1S1PR3S1PR2INPPL1INPP5A
SCHEMBL7767259 0.77 INPPL1 (0.43) SMN1; SMN2S1PR1S1PR3S1PR2INPPL1
SCHEMBL2039626 0.75 GLA (0.48) GLASMN1; SMN2ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2097428-A2 BUTYRYLCHOLINESTERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES Mgp Biotechnologies, Inc. (US) 2009-09-09 EP disclosed
WO-2008055249-A2 BUTYRYLCHOLINESTERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES MGP BIOTECHNOLOGIES, INC. (US) 2008-05-08 WO disclosed