SCHEMBL7868078

SCHEMBL7868078

CC(C)(C)CC(=O)Oc1cccc(CCCc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.49
PPARA Q07869 5/20 0.49
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
FDFT1 P37268 1/20 0.44
ACHE P22303 3/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
KMT2A Q03164 1/20 0.42

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
SCHEMBL17138190 0.82 KMT2A (0.48) ACHEKMT2A
SCHEMBL7868075 0.82 GPR52 (0.42) PPARGPPARAKMT2A
SCHEMBL28220738 0.81 ACHE (0.47) ACHEKMT2A
SCHEMBL2448081 0.80 L3MBTL1 (0.47) KMT2A
SCHEMBL7871801 0.80 PPARG (0.43) PPARGPPARAACHE
SCHEMBL28389846 0.77 LMNA (0.61) PPARGACHEKMT2A
SCHEMBL27578836 0.76 LMNA (0.50) ACHEMTNR1AMTNR1BKMT2A
SCHEMBL2769998 0.76 PPARA (0.55) PPARGPPARAKMT2A
SCHEMBL28161063 0.74 CYP3A4 (0.49) HDAC1HDAC6KMT2A
SCHEMBL715536 0.74 CYP3A4 (0.56) ACHE

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