SCHEMBL9460554

SCHEMBL9460554

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ APP P05067 3/20 0.52
▸ AOC3 Q16853 1/20 0.42
▸ KCNH2 Q12809 1/20 0.41
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ACACB O00763 2/20 0.39
▸ ATM Q13315 2/20 0.38
▸ HAO1 Q9UJM8 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ POLB P06746 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
SCHEMBL29018693 0.87 L3MBTL1 (0.66) LMNAL3MBTL1APPAOC3KCNH2
SCHEMBL7134534 0.82 APP (0.64) L3MBTL1APPKCNH2CA12CA1
SCHEMBL9460884 0.80 LMNA (0.46) LMNAL3MBTL1CA12CA1CA2
SCHEMBL2601884 0.78 LMNA (0.57) LMNAL3MBTL1APPALDH1A1NPC1
SCHEMBL3190454 0.77 MAPT (0.47) APPKCNH2MAPTALDH1A1NPC1
SCHEMBL18121550 0.77 APP (0.84) APPKCNH2CA12CA1CA2
SCHEMBL19934119 0.75 APP (0.61) L3MBTL1APPKCNH2CA12CA1
SCHEMBL14770101 0.75 APP (0.55) LMNAL3MBTL1APPKCNH2CA12
SCHEMBL28151462 0.75 APP (0.55) L3MBTL1APPKCNH2CA12CA1
SCHEMBL10300057 0.73 APP (0.77) L3MBTL1APPKCNH2CA12CA1

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
EP-0383621-B1 Diphenyldiacetylene derivative TODA KOGYO CORP (JP) 1993-12-08 — — EP disclosed
US-5196586-A Polydiphenyldiacetylenes TODA KOGYO CORP. (JP) 1993-03-23 — — US disclosed
EP-0383621-A1 Diphenyldiacetylene derivative TODA KOGYO CORP. (JP) 1990-08-22 — — EP disclosed
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