SCHEMBL28020177

SCHEMBL28020177

O=S(=O)(O)c1c(O)cc(O)c(O)c1S(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ING2 Q9H160 1/20 0.37
ALDH1A1 P00352 5/20 0.34
HSD17B10 Q99714 5/20 0.34
FABP3 P05413 1/20 0.34
FABP4 P15090 1/20 0.34
FABP5 Q01469 1/20 0.34
CYP2D6 P10635 1/20 0.34
KDM4E B2RXH2 3/20 0.33
HPGD P15428 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
DAPK1 P53355 2/20 0.33
MEN1 O00255 1/20 0.33
TTR P02766 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP3A4 P08684 1/20 0.33
HSPD1 P10809 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 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
SCHEMBL669040 0.90 ING2 (0.39) ING2ALDH1A1HSD17B10FABP3FABP4
SCHEMBL668351 0.85 ING2 (0.37) ING2ALDH1A1HSD17B10FABP3FABP4
SCHEMBL7095349 0.84 ING2 (0.39) ING2ALDH1A1HSD17B10FABP3FABP4
SCHEMBL11772949 0.81 HSD17B10 (0.40) ING2ALDH1A1HSD17B10FABP3FABP4
SCHEMBL8746545 0.81 MPL (0.38) ING2ALDH1A1HSD17B10FABP3FABP4
SCHEMBL10524088 0.79 MPL (0.37) ING2ALDH1A1HSD17B10FABP3FABP4
SCHEMBL10524101 0.79 ING2 (0.38) ING2ALDH1A1HSD17B10CYP2D6KDM4E
SCHEMBL29412224 0.76 HSD17B10 (0.40) ING2ALDH1A1HSD17B10FABP3FABP4
SCHEMBL7091094 0.76 HSD17B10 (0.40) ING2ALDH1A1HSD17B10FABP3FABP4
SCHEMBL19193970 0.75 MAPT (0.47) ING2ALDH1A1HSD17B10FABP3FABP4

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-104726237-A Yellow-spot-removing dry cleaning agent SHANGHAI PENGGANG IND DEV CO LTD 2015-06-24 CN disclosed