SCHEMBL7659731

SCHEMBL7659731

COC(=O)CC(=O)CC(=O)c1ccc(OC)c(OC)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
ALDH1A1 P00352 2/20 0.57
GAA P10253 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
TSHR P16473 3/20 0.56
CTNNB1 P35222 2/20 0.56
WNT3A P56704 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
CA6 P23280 1/20 0.54
CA7 P43166 1/20 0.54
TPMT P51580 1/20 0.54

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
SCHEMBL7380780 0.92 MAPT (0.61) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL7656904 0.87 CA12 (0.59) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL8416079 0.87 MAPT (0.51) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL1659363 0.86 MAPT (0.71) MAPTMEN1KMT2AALDH1A1GAA
Formic Acid SCHEMBL8416081 0.83 CA12 (0.54) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL1322947 0.81 MAPT (0.61) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL4438295 0.81 CA12 (0.65) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL30629388 0.81 CA12 (0.65) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL11045656 0.81 MAPT (0.61) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL14660404 0.80 MAPT (0.60) MAPTMEN1KMT2AALDH1A1GAA

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
US-6384045-B1 TREATMENT OF ALZHEIMER'S DISEASE AND ANTICANCER AGENTS KANSAS STATE UNIVERSITY RESEARCH FOUNDATION 2002-05-07 US disclosed
US-5958970-A ENZYME INHIBITORS OF ACETYLCHOLINESTERASE (ACHE) AND ACYL-COA:CHOLESTEROL ACYLTRANSFERASE (ACAT); USED IN THE TREATMENT OF ALZHEIMER'S DISEASE, ATHEROSCLEROSIS AND HYPERCHOLESTEROLEMIA KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 1999-09-28 US disclosed