SCHEMBL25304770

SCHEMBL25304770

COc1ccc(C#CC(C)(C)N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 4/20 0.57
▸ LMNA P02545 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ KCNH2 Q12809 2/20 0.44
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA7 P43166 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ AOC3 Q16853 1/20 0.39
▸ ACACB O00763 1/20 0.38
▸ MCHR1 Q99705 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ CSF1R P07333 1/20 0.36
▸ SCN10A Q9Y5Y9 1/20 0.36

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
SCHEMBL14770101 0.83 APP (0.55) APPLMNAL3MBTL1KCNH2CA1
SCHEMBL674764 0.78 APP (0.77) APPL3MBTL1KCNH2CA1CA2
SCHEMBL10300057 0.78 APP (0.77) APPL3MBTL1KCNH2CA1CA2
SCHEMBL1566910 0.78 APP (0.53) APPLMNAL3MBTL1KCNH2CA1
SCHEMBL31257852 0.77 CA12 (0.44) APPLMNAL3MBTL1KCNH2CA1
SCHEMBL9715639 0.75 APP (0.74) APPL3MBTL1KCNH2CA1CA2
SCHEMBL31257842 0.75 APP (0.34) APP
SCHEMBL31257892 0.75 SLC6A2 (0.42) APPLMNAKCNH2ACACBSCN10A
SCHEMBL31257844 0.74 APP (0.50) APPKCNH2CA1CA2CA9
SCHEMBL27486765 0.73 APP (0.59) APPLMNAL3MBTL1KCNH2CA1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119264074-B 2, 4-Trimethyl thiazolidine derivative and synthetic method thereof 内蒙古工业大学 2025-03-04 — — CN claimed
CN-119264074-A 2, 4-Trimethyl thiazolidine derivative and synthetic method thereof 内蒙古工业大学 2025-01-07 — — CN claimed
CN-119264074-B 2, 4-Trimethyl thiazolidine derivative and synthetic method thereof 内蒙古工业大学 2025-03-04 — — CN disclosed
CN-119264074-A 2, 4-Trimethyl thiazolidine derivative and synthetic method thereof 内蒙古工业大学 2025-01-07 — — CN disclosed
EP-4460492-A1 COMPOUNDS CONTAINING A HYDROXYPHENYL MOIETY AND THEIR USE (INSERM) Institut National de la Santé et de la Recherche Médicale (FR) 2024-11-13 — — EP disclosed
WO-2023131677-A1 COMPOUNDS CONTAINING A HYDROXYPHENYL MOIETY AND THEIR USE INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2023-07-13 — — WO disclosed
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