SCHEMBL14700508

SCHEMBL14700508

COc1c(C)cc([S+]([O-])c2cc(C)c(OC(C)=O)c(C)c2)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
ABCB11 O95342 1/20 0.40
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
HPGD P15428 1/20 0.36
TNFSF11 O14788 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 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
SCHEMBL12799797 0.81 HTT (0.44) HTTKDM4EHSD17B10TP53GAA
SCHEMBL12445354 0.80 HTT (0.46) HTTKDM4EHSD17B10TP53GAA
SCHEMBL14700588 0.77 TUBB4A (0.50) HTTKDM4EHSD17B10TP53GAA
SCHEMBL5686212 0.77 KDM4E (0.46) HTTKDM4EHSD17B10TP53GAA
SCHEMBL12445342 0.76 ALDH1A1 (0.44) HTTKDM4EHSD17B10TP53GAA
SCHEMBL14700548 0.76 HTT (0.42) HTTKDM4EHSD17B10TP53GAA
SCHEMBL13144070 0.76 HTT (0.42) HTTKDM4EHSD17B10TP53GAA
SCHEMBL14700563 0.75 MAPT (0.44) HTTKDM4EHSD17B10TP53GAA
SCHEMBL15430979 0.75 HTT (0.41) HTTKDM4EHSD17B10TP53GAA
SCHEMBL6817528 0.74 HTT (0.47) HTTKDM4EHSD17B10TP53GAA

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-20130040234-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR, MANUFACTURING METHOD THEREFOR AND ELECTROPHOTOGRAPHIC DEVICE FUJI ELECTRIC CO., LTD. (JP) 2013-02-14 US disclosed