Sugi Predict

Sugi Predict / Compounds / SCHEMBL4431205

SCHEMBL4431205

SCHEMBL4431205

CCCCCOP(=O)(OCCCCC)Oc1ccc(Cl)cc1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ GAA P10253 1/20 0.44
▸ MAPK1 P28482 1/20 0.44

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
SCHEMBL3234851 0.97 CYP3A4 (0.53) CYP3A4L3MBTL1MEN1KMT2A
SCHEMBL11733443 0.85 LTA4H (0.53) CYP3A4
SCHEMBL11730555 0.84 LTA4H (0.51) CYP3A4
SCHEMBL9818194 0.84 CYP3A4 (0.56) CYP3A4
SCHEMBL1296193 0.84 LTA4H (0.51) CYP3A4
SCHEMBL11731430 0.84 LTA4H (0.51) CYP3A4
SCHEMBL123410 0.84 CYP3A4 (0.56) CYP3A4
SCHEMBL10732368 0.84 CYP3A4 (0.56) CYP3A4
SCHEMBL11323355 0.84 CYP3A4 (0.56) CYP3A4
SCHEMBL3813877 0.83 LTA4H (0.50) CYP3A4

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