SCHEMBL7871801

SCHEMBL7871801

CC(C)(C)CC(=O)Oc1cccc([C@H](O)CCc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
RIPK1 Q13546 1/20 0.40
BCHE P06276 3/20 0.40
ACHE P22303 3/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALOX5 P09917 1/20 0.39

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
SCHEMBL7874665 0.84 PPARG (0.47) PPARGPPARABCHEACHEHTT
SCHEMBL7868078 0.80 PPARG (0.49) PPARGPPARAACHE
SCHEMBL499557 0.79 OPRK1 (0.43) PPARGPPARAALOX5
SCHEMBL7169569 0.78 AOC3 (0.56) L3MBTL1
SCHEMBL10110960 0.77 ALOX5 (0.46) PPARGPPARAL3MBTL1ALOX5
SCHEMBL8403516 0.77 ALOX5 (0.46) PPARGPPARAL3MBTL1ALOX5
SCHEMBL17138190 0.76 KMT2A (0.48) ACHE
SCHEMBL7868075 0.76 GPR52 (0.42) PPARGPPARAHTT
SCHEMBL8403375 0.75 CYSLTR2 (0.42) ALOX5
SCHEMBL2448081 0.74 L3MBTL1 (0.47) HTTL3MBTL1

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
US-6316405-B1 CYCLOSPORIN A, POLYPEPTIDES, COMPONENT OF AMYLOID PLAQUES FOUND IN NEUROLOGICAL DISORDERS SUCH AS ALZHEIMER'S DISEASE, MULTIPLE SCLEROSIS, AND AMYOTROPHIC LATERAL SCLEROSIS. THE CONJUGATES ARE USEFUL IN THE TREATMENT OF NEUROLOGICAL WISCONSIN ALUMNI RESEARCH FOUNDATION 2001-11-13 US disclosed