SCHEMBL9687075

SCHEMBL9687075

CC(C)(C)[Si](C)(C)Oc1ccc(N)cc1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.37
GAA P10253 4/20 0.37
MAPT P10636 4/20 0.37
KDM4E B2RXH2 4/20 0.37
HTT P42858 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
NR4A1 P22736 1/20 0.36
DRD2 P14416 1/20 0.36
CA12 O43570 4/20 0.35
CA1 P00915 4/20 0.35
CA9 Q16790 4/20 0.35
IMPDH2 P12268 1/20 0.35
IMPDH1 P20839 1/20 0.35
USP2 O75604 2/20 0.34
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 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
SCHEMBL30189749 0.91 KDM4E (0.45) ALDH1A1GAAMAPTKDM4EHTT
SCHEMBL2076161 0.91 KDM4E (0.49) ALDH1A1GAAMAPTKDM4EHTT
SCHEMBL1157653 0.91 KDM4E (0.45) ALDH1A1GAAMAPTKDM4EHTT
SCHEMBL23226669 0.87 ALDH1A1 (0.43) ALDH1A1GAAMAPTKDM4EHTT
SCHEMBL61072 0.85 ALDH1A1 (0.42) ALDH1A1GAAMAPTKDM4EHTT
SCHEMBL60596 0.85 ALDH1A1 (0.42) ALDH1A1GAAMAPTKDM4ETSHR
SCHEMBL26617408 0.85 GAA (0.34) ALDH1A1GAAMAPTKDM4EHTT
SCHEMBL17782690 0.84 MEN1 (0.41) ALDH1A1GAAMAPTKDM4ETSHR
SCHEMBL18359614 0.84 ALOX5AP (0.37) ALDH1A1GAAMAPTKDM4EHTT
SCHEMBL15514887 0.81 DRD2 (0.38) ALDH1A1GAAMAPTKDM4EHTT

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