SCHEMBL28894036

SCHEMBL28894036

CCc1c(C(=O)O)cc(S(=O)(=O)O)c(CC)c1C(=O)O.[NaH]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.41
ALDH1A1 P00352 2/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CISD1 Q9NZ45 9/20 0.34
CA12 O43570 3/20 0.33
CA9 Q16790 3/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA3 P07451 2/20 0.33
CA4 P22748 2/20 0.33
CA6 P23280 2/20 0.33
CA5A P35218 2/20 0.33
CA7 P43166 2/20 0.33
CA13 Q8N1Q1 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
S1PR3 Q99500 1/20 0.33
ATM Q13315 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
SCHEMBL5173168 0.98 HSD17B10 (0.42) HSD17B10ALDH1A1CASP1CASP7TDP1
SCHEMBL7945437 0.80 CISD1 (0.40) HSD17B10ALDH1A1CASP1CASP7TDP1
SCHEMBL8099244 0.79 ALDH1A1 (0.39) HSD17B10ALDH1A1CASP1CASP7TDP1
SCHEMBL2940569 0.79 LCK (0.43) HSD17B10ALDH1A1CASP1CASP7TDP1
SCHEMBL7944131 0.78 S1PR3 (0.43) CISD1CA12CA9S1PR3
SCHEMBL7945497 0.78 S1PR3 (0.43) CISD1CA12CA9S1PR3
SCHEMBL1073390 0.77 ALDH1A1 (0.38) HSD17B10ALDH1A1CASP1CASP7TDP1
SCHEMBL6684901 0.76 ALDH1A1 (0.31) HSD17B10ALDH1A1CASP1CASP7TDP1
SCHEMBL7162007 0.75 HSD17B10 (0.37) HSD17B10ALDH1A1CASP1CASP7TDP1
SCHEMBL3905079 0.75 ALDH1A1 (0.36) HSD17B10ALDH1A1CASP1CASP7TDP1

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
CN-115243891-A Multilayer container, method for producing same, and method for producing recycled polyester 三菱瓦斯化学株式会社 2022-10-25 CN disclosed