SCHEMBL28019240

SCHEMBL28019240

Fc1ccc(C#Cc2c[c]ccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.37
GRM5 P41594 6/20 0.36
FFAR1 O14842 1/20 0.36
MAPT P10636 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP12 P39900 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
HAO1 Q9UJM8 1/20 0.30

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
SCHEMBL2188836 0.83 APP (0.57) APPGRM5FFAR1MAPTCA12
SCHEMBL5496752 0.82 TSHR (0.46) APPFFAR1MAPTCA12CA1
SCHEMBL2539548 0.80 APP (0.37) APPGRM5MAPT
SCHEMBL2545694 0.80 APP (0.37) APPMAPT
SCHEMBL4268626 0.80 APP (0.37) APPMAPT
SCHEMBL5492434 0.80 MAPT (0.59) APPFFAR1MAPTCA12CA1
SCHEMBL5495027 0.80 APP (0.47) APPFFAR1MAPTCA12CA1
SCHEMBL5493305 0.76 APP (0.33) APPMAPT
SCHEMBL27809063 0.76 ALDH1A1 (0.39) APPGRM5MAPT
SCHEMBL5492278 0.76 APP (0.33) APPMAPT

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
CN-104710304-A Preparation method of 1-benzylidene-2-alkenyl-3-indene ester series compounds UNIV JIANGXI NORMAL 2015-06-17 CN disclosed