SCHEMBL9503227

SCHEMBL9503227

Cc1ccc(OS(=O)(=O)O)cc1C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.42
GAA P10253 2/20 0.41
GLA P06280 1/20 0.41
TRIM24 O15164 1/20 0.39
TYR P14679 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
ALDH1A1 P00352 5/20 0.38
TSHR P16473 1/20 0.38
CISD1 Q9NZ45 1/20 0.38
KDM4E B2RXH2 2/20 0.35
STS P08842 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CA2 P00918 1/20 0.34
ESR1 P03372 1/20 0.33
ATM Q13315 1/20 0.33
ESR2 Q92731 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 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
SCHEMBL4135469 0.80 TDP1 (0.47) GAAGLAALDH1A1CISD1MEN1
SCHEMBL13144922 0.78 ALDH1A1 (0.43) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL1199423 0.77 ALDH1A1 (0.49) ERN1GAAGLATRIM24TYR
SCHEMBL29957330 0.76 ERN1 (0.63) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL2505574 0.76 ERN1 (0.63) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL4127129 0.75 GAA (0.42) ERN1GAAGLAALDH1A1TSHR
SCHEMBL4128087 0.74 GAA (0.41) GAAGLACISD1STSMEN1
SCHEMBL14350794 0.73 ALDH1A1 (0.42) ERN1GAAALDH1A1TSHRKDM4E
SCHEMBL16341868 0.72 TUBB1 (0.42) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL10452313 0.71 ALDH1A1 (0.41) ERN1GAAALDH1A1TSHRKDM4E

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
EP-0298361-B1 LIQUID DETERGENE CONTAINING DISULFONATED OPTICAL BRIGHTENERS CIBA-GEIGY AG (CH) 1993-06-09 EP disclosed
EP-0298361-A1 Liquid detergene containing disulfonated optical brighteners CIBA-GEIGY AG (CH) 1989-01-11 EP disclosed