SCHEMBL23979323

SCHEMBL23979323

Cc1ccc(C#Cc2cc(C#Cc3ccc(O)cc3)cc(C#Cc3ccc(O)cc3)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.62
APP P05067 4/20 0.60
GRM5 P41594 2/20 0.48
CA12 O43570 3/20 0.45
CA2 P00918 3/20 0.45
CA9 Q16790 3/20 0.45
CA1 P00915 2/20 0.45
KCNH2 Q12809 1/20 0.45
FFAR1 O14842 3/20 0.44
ALDH1A1 P00352 2/20 0.42
CYP2A6 P11509 1/20 0.42
CA3 P07451 1/20 0.42
CA6 P23280 1/20 0.42
CA14 Q9ULX7 1/20 0.42
ESR2 Q92731 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL7889999 0.95 ACHE (0.68) ACHEAPPGRM5CA12CA2
SCHEMBL4267390 0.88 ACHE (0.52) ACHEAPPGRM5CA12CA2
SCHEMBL21903464 0.87 APP (0.75) APPCA12CA2CA9CA1
SCHEMBL12535841 0.82 APP (0.50) ACHEAPPGRM5CA12CA2
SCHEMBL9445826 0.82 GRM5 (0.64) ACHEAPPGRM5CA12CA2
SCHEMBL4457730 0.82 GRM5 (0.64) ACHEAPPGRM5CA12CA2
SCHEMBL673609 0.82 APP (0.74) ACHEAPPCA12CA2CA9
SCHEMBL14400750 0.82 APP (0.74) ACHEAPPCA12CA2CA9
SCHEMBL5668254 0.80 APP (0.44) ACHEAPPGRM5CA12CA2
SCHEMBL18130075 0.79 APP (0.57) ACHEAPPCA12CA2CA9

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-20210343522-A1 COATING COMPOSITIONS AND METHODS OF FORMING ELECTRONIC DEVICES U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2021-11-04 US disclosed