SCHEMBL28061501

SCHEMBL28061501

O=C(O)c1ccc(C(c2ccc(C(=O)O)c(C(=O)O)c2)(C(F)(F)F)C(F)(F)F)cc1C(=O)O.O=C(O)c1cccc([SH](=O)=O)c1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.37
CDC25A P30304 1/20 0.37
CDC25B P30305 1/20 0.37
SORT1 Q99523 9/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
GRIK1 P39086 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALOX15 P16050 1/20 0.33
USP2 O75604 1/20 0.32
CYP2C19 P33261 1/20 0.32
TAS2R14 Q9NYV8 2/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL4848176 0.83 HSD17B10 (0.40) HSD17B10CDC25ACDC25BSORT1ALDH1A1
SCHEMBL308976 0.81 HSD17B10 (0.41) HSD17B10CDC25ACDC25BSORT1ALDH1A1
SCHEMBL10700133 0.81 HSD17B10 (0.38) HSD17B10CDC25ACDC25BSORT1ALDH1A1
SCHEMBL1770132 0.80 HSD17B10 (0.50) HSD17B10CDC25ACDC25BSORT1ALDH1A1
SCHEMBL29401067 0.80 HSD17B10 (0.50) HSD17B10CDC25ACDC25BSORT1ALDH1A1
SCHEMBL9492931 0.80 HSD17B10 (0.50) HSD17B10CDC25ACDC25BSORT1ALDH1A1
SCHEMBL29441324 0.80 HSD17B10 (0.50) HSD17B10CDC25ACDC25BSORT1ALDH1A1
SCHEMBL109108 0.80 HSD17B10 (0.50) HSD17B10CDC25ACDC25BSORT1ALDH1A1
SCHEMBL716005 0.80 MEN1 (0.38) HSD17B10CDC25ACDC25BSORT1ALDH1A1
Hydrochloric Acid SCHEMBL8507928 0.79 HSD17B10 (0.49) HSD17B10CDC25ACDC25BSORT1ALDH1A1

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
CN-102436164-B The intermediate transfer element of phosphate ester polyimide containing Xerox Corp. (US) Patent Dept. 020 Xerox Square 100 Clinton Avenue Rochester New (US) 2016-04-20 CN claimed
CN-102436164-B The intermediate transfer element of phosphate ester polyimide containing Xerox Corp. (US) Patent Dept. 020 Xerox Square 100 Clinton Avenue Rochester New (US) 2016-04-20 CN disclosed