SCHEMBL19904758

SCHEMBL19904758

CCCCOP(=O)(OC)Oc1ccccc1

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.50
LTA4H P09960 1/20 0.46

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
SCHEMBL5679204 0.94 LTA4H (0.45) LTA4H
SCHEMBL5682817 0.94 LTA4H (0.45) LTA4H
SCHEMBL28046740 0.94 LTA4H (0.45) LTA4H
SCHEMBL887205 0.92 CYP3A4 (0.55) CYP3A4LTA4H
SCHEMBL124571 0.92 CYP3A4 (0.55) CYP3A4LTA4H
Triphenyl Phosphate SCHEMBL3474383 0.90 CYP3A4 (0.59) CYP3A4LTA4H
Triphenyl Phosphate SCHEMBL7526391 0.90 CYP3A4 (0.53) CYP3A4LTA4H
SCHEMBL11733443 0.89 LTA4H (0.53) CYP3A4LTA4H
SCHEMBL11889545 0.89 CYP3A4 (0.52) CYP3A4LTA4H
SCHEMBL11731430 0.87 LTA4H (0.51) CYP3A4LTA4H

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