SCHEMBL19904719

SCHEMBL19904719

CCCCOP(=O)(OCCCCc1ccc(OP(=S)(OCCCC)OCCCC)c(Cl)c1)Oc1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TDP1 Q9NUW8 1/20 0.38
PKM P14618 1/20 0.37
FAAH O00519 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
XBP1 P17861 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LPAR1 Q92633 1/20 0.35
LPAR5 Q9H1C0 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
SCHEMBL19904746 0.80 L3MBTL1 (0.50) GLASMN1; SMN2L3MBTL1TDP1PKM
SCHEMBL3226269 0.78 CYP3A4 (0.48) L3MBTL1FAAHXBP1HTTNPSR1
SCHEMBL19904757 0.76 GAA (0.43) GLASMN1; SMN2L3MBTL1TDP1S1PR1
SCHEMBL3230857 0.73 TDP1 (0.48) SMN1; SMN2L3MBTL1TDP1PKM
SCHEMBL3222691 0.73 PKM (0.51) SMN1; SMN2L3MBTL1PKM
SCHEMBL30722828 0.73 PKM (0.51) SMN1; SMN2L3MBTL1PKM
SCHEMBL3224957 0.72 L3MBTL1 (0.52) SMN1; SMN2L3MBTL1PKM
SCHEMBL19904728 0.71 GAA (0.48) GLASMN1; SMN2L3MBTL1TDP1
SCHEMBL19904708 0.71 PKM (0.41) GLASMN1; SMN2L3MBTL1TDP1PKM
SCHEMBL19904763 0.71 PKM (0.49) SMN1; SMN2L3MBTL1PKM

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