SCHEMBL17145348

SCHEMBL17145348

CC(=O)Oc1c2ccccc2c(OS(=O)(=O)O)c2cc(C(C)=O)oc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.41
MAPT P10636 5/20 0.41
KDM4E B2RXH2 5/20 0.41
GAA P10253 2/20 0.41
TP53 P04637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 4/20 0.37
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 1/20 0.37
MPI P34949 1/20 0.37
RECQL P46063 2/20 0.36
TSHR P16473 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
STAT3 P40763 2/20 0.36
POLB P06746 2/20 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
SCHEMBL12493926 0.88 MAPT (0.48) HTTMAPTKDM4EGAATP53
SCHEMBL17145345 0.80 MAPT (0.41) HTTMAPTKDM4EGAATP53
SCHEMBL17145858 0.80 MAPT (0.41) HTTMAPTKDM4EGAATP53
SCHEMBL12524657 0.76 KDM4E (0.44) HTTMAPTKDM4EGAATP53
SCHEMBL29488 0.76 LMNA (0.50) HTTMAPTKDM4EGAAHSD17B10
SCHEMBL12494851 0.75 LMNA (0.39) HTTMAPTKDM4EGAATP53
SCHEMBL17145346 0.75 KLKB1 (0.46) HTTMAPTKDM4EGAATP53
SCHEMBL18123828 0.75 LMNA (0.39) HTTMAPTKDM4EGAATP53
SCHEMBL12525445 0.74 PDE4A (0.38) HTTMAPTKDM4EGAATP53
SCHEMBL18123713 0.74 PDE4A (0.38) HTTMAPTKDM4EGAATP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150530-B2 Esters of 4, 9-dihydroxy-naphtho [2, 3-b] furans for disease therapies ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2015-10-06 US disclosed
US-9150530-B2 Esters of 4, 9-dihydroxy-naphtho [2, 3-b] furans for disease therapies ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2015-10-06 US disclosed