SCHEMBL7666958

SCHEMBL7666958

C=C(C)[C@@H]1CC=C(C)C(=O)[C@H]1C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
TGFBR1 P36897 1/20 0.44
LMNA P02545 2/20 0.34
TSHR P16473 3/20 0.33
NFE2L2 Q16236 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.32
PTPN11 Q06124 1/20 0.31
POLE3 Q9NRF9 1/20 0.31
TRPA1 O75762 1/20 0.31

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
SCHEMBL5683303 1.00 MEN1 (0.47) MEN1ALDH1A1KMT2ATGFBR1LMNA
SCHEMBL30597491 0.83 MEN1 (0.49) MEN1ALDH1A1KMT2ATGFBR1LMNA
SCHEMBL1244477 0.81 MEN1 (0.47) MEN1ALDH1A1KMT2ATGFBR1LMNA
SCHEMBL21673038 0.81 MEN1 (0.47) MEN1ALDH1A1KMT2ATGFBR1LMNA
SCHEMBL8330697 0.74 ALDH1A1 (0.41) MEN1ALDH1A1KMT2ATGFBR1LMNA
SCHEMBL20969207 0.73 MEN1 (0.40) MEN1ALDH1A1KMT2ATGFBR1NFE2L2
SCHEMBL7700637 0.73 TSHR (0.40) MEN1ALDH1A1KMT2ATGFBR1TSHR
SCHEMBL20969489 0.72 ALDH1A1 (0.39) MEN1ALDH1A1KMT2ATGFBR1TSHR
SCHEMBL20969493 0.72 ALDH1A1 (0.39) MEN1ALDH1A1KMT2ATGFBR1TSHR
SCHEMBL32678441 0.71 PTPN11 (0.36) MEN1ALDH1A1KMT2APTPN11POLE3

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 3 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
WO-1998039010-A1 TRICYCLIC AND TETRACYCLIC PYRONES KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 1998-09-11 WO disclosed