SCHEMBL15744765

SCHEMBL15744765

Cc1ccc(C#Cc2ccc(C#Cc3ccc(OBO)cc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.42
GRM5 P41594 2/20 0.42
CA12 O43570 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
CA1 P00915 2/20 0.40
WDR5 P61964 1/20 0.40
KCNH2 Q12809 1/20 0.40
FFAR1 O14842 4/20 0.40
ACHE P22303 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP2A6 P11509 1/20 0.37
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ACACB O00763 1/20 0.35

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
SCHEMBL15744764 1.00 APP (0.42) APPGRM5CA12CA2CA9
SCHEMBL15744774 0.92 WDR5 (0.38) APPGRM5CA12CA2CA9
SCHEMBL2602434 0.87 ACHE (0.48) CA2CA9CA1WDR5ACHE
SCHEMBL15744763 0.81 ACHE (0.42) CA2CA9CA1WDR5ACHE
SCHEMBL25590575 0.77 ENPP2 (0.44) APPCA2CA1FFAR1
SCHEMBL14394344 0.76 TEAD4 (0.56) APPGRM5CA12CA2CA9
SCHEMBL9999906 0.76 TEAD4 (0.56) APPGRM5CA12CA2CA9
SCHEMBL9445826 0.75 GRM5 (0.64) APPGRM5CA12CA2CA9
SCHEMBL4457730 0.75 GRM5 (0.64) APPGRM5CA12CA2CA9
SCHEMBL14477632 0.75 MEN1 (0.33) CA12CA2CA9CA1

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-20140148596-A1 Covalent Organic Frameworks and Methods of Making Same CORNELL UNIVERSITY (US) 2014-05-29 US disclosed