SCHEMBL7582877

SCHEMBL7582877

COc1ccc(C#Cc2ccc([SiH2]C)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.59
KCNH2 Q12809 1/20 0.50
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA12 O43570 1/20 0.46
CA14 Q9ULX7 1/20 0.46
ACACB O00763 2/20 0.42
MCHR1 Q99705 1/20 0.42
LTA4H P09960 2/20 0.40
ACHE P22303 1/20 0.39
ENPP2 Q13822 1/20 0.39
GRM3 Q14832 1/20 0.39
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HAO1 Q9UJM8 1/20 0.38

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
SCHEMBL5961824 0.87 CA1 (0.61) APPCA1CA2CA7CA9
SCHEMBL674764 0.84 APP (0.77) APPKCNH2CA1CA2CA7
SCHEMBL10300057 0.84 APP (0.77) APPKCNH2CA1CA2CA7
SCHEMBL9715639 0.82 APP (0.74) APPKCNH2CA1CA2CA7
SCHEMBL21903457 0.78 APP (0.75) APPKCNH2CA1CA2CA7
SCHEMBL10525794 0.76 ACHE (0.71) APPKCNH2CA1CA2CA7
SCHEMBL9333443 0.76 APP (0.72) APPKCNH2CA1CA2CA7
SCHEMBL5552160 0.76 APP (0.65) APPKCNH2CA1CA2CA7
SCHEMBL9332942 0.75 APP (0.59) APPKCNH2CA1CA2CA7
SCHEMBL7134534 0.75 APP (0.64) APPKCNH2CA1CA2CA7

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-0872484-B1 ORGANOSILICON COMPOUNDS, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT CHISSO CORP (JP) 2002-10-02 EP disclosed
US-5993690-A Organosilicon compound, liquid crystal composition, and liquid-crystal display element CHISSO CORPORATION (JP) 1999-11-30 US disclosed
EP-0872484-A1 ORGANOSILICON COMPOUNDS, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1998-10-21 EP disclosed