SCHEMBL29018693

SCHEMBL29018693

COc1ccc(C#CC(C)(C)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.66
▸ LMNA P02545 2/20 0.66
▸ APP P05067 3/20 0.57
▸ MAPT P10636 1/20 0.48
▸ HAO1 Q9UJM8 1/20 0.47
▸ KCNH2 Q12809 1/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ ATM Q13315 4/20 0.43
▸ AOC3 Q16853 1/20 0.42
▸ ASIC3 Q9UHC3 1/20 0.42
▸ ACACB O00763 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41

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
SCHEMBL2601884 0.90 LMNA (0.57) L3MBTL1LMNAAPPALDH1A1
SCHEMBL9460554 0.87 LMNA (0.54) L3MBTL1LMNAAPPMAPTHAO1
SCHEMBL12391039 0.85 ASIC3 (0.50) L3MBTL1LMNAMAPTHAO1ATM
SCHEMBL6579434 0.84 LMNA (0.51) L3MBTL1LMNAAPPMAPTHAO1
SCHEMBL14770101 0.83 APP (0.55) L3MBTL1LMNAAPPMAPTHAO1
SCHEMBL17370240 0.82 L3MBTL1 (0.49) L3MBTL1LMNAAPPMAPTHAO1
SCHEMBL25304770 0.80 APP (0.57) L3MBTL1LMNAAPPKCNH2CA12
SCHEMBL21880586 0.80 LMNA (0.47) L3MBTL1LMNAAPPMAPTHAO1
SCHEMBL11552961 0.78 HAO1 (0.49) L3MBTL1LMNAMAPTHAO1ASIC3
SCHEMBL6724461 0.78 MAPT (0.50) L3MBTL1LMNAAPPMAPTHAO1

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
CN-116284092-A Iron catalytic system for alkyne compound hydroboration and hydrosilation reaction and application thereof 河北科技大学 2023-06-23 — — CN disclosed
CN-116284093-A Alkali promotion system for synthesizing alkenyl borate from propargyl alcohol compound and application of alkali promotion system 河北科技大学 2023-06-23 — — CN disclosed
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