SCHEMBL9688329

SCHEMBL9688329

C[SiH](C)Oc1ccc(C(=O)O)c(O)c1C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
MAPT P10636 2/20 0.45
SELL P14151 1/20 0.38
SELP P16109 1/20 0.38
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
LDHA P00338 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
GRM1 Q13255 1/20 0.33

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
SCHEMBL8303437 0.83 KDM4E (0.36) TDP1MAPTKDM4EHSD17B10ALDH1A1
SCHEMBL8042700 0.78 MAPT (0.45) TDP1MAPTSELLSELPKDM4E
SCHEMBL7520417 0.76 TDP1 (0.46) TDP1MAPTKDM4EHSD17B10ALDH1A1
SCHEMBL15524283 0.74 SELL (0.57) TDP1MAPTSELLSELPKDM4E
SCHEMBL14691383 0.73 TDP1 (0.53) TDP1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL4734822 0.73 KDM4E (0.50) TDP1MAPTSELLSELPKDM4E
SCHEMBL332091 0.73 GLRA3 (0.46) TDP1MAPTSELLSELPKDM4E
SCHEMBL9080891 0.71 GLRA3 (0.44) TDP1MAPTSELLSELPKDM4E
SCHEMBL1406034 0.71 GLRA3 (0.44) TDP1MAPTSELLSELPKDM4E
SCHEMBL22722987 0.71 GLRA3 (0.44) TDP1MAPTSELLSELPKDM4E

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
EP-0472062-A1 Beta-lactam compounds, and their production and use SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1992-02-26 EP disclosed