SCHEMBL9455484

SCHEMBL9455484

O=S(=O)(O)c1cc(S(=O)(=O)O)c2c(OCCO)cccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 2/20 0.42
SUMO2 P61956 1/20 0.38
SUMO1 P63165 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP2 Q9HC62 1/20 0.38
PRMT1 Q99873 1/20 0.35
CYP2C9 P11712 2/20 0.34
CYP1A2 P05177 1/20 0.34
DNASE1L3 Q13609 1/20 0.34
CASP6 P55212 2/20 0.34
HSD17B10 Q99714 2/20 0.33
GLRA3 O75311 2/20 0.33
DUSP5 Q16690 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
GLRB P48167 1/20 0.33
GAA P10253 1/20 0.33
PTGER3 P43115 2/20 0.32

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
SCHEMBL9455429 0.83 ALDH1A1 (0.48) ALDH1A1MAPK1SUMO2SUMO1SENP7
SCHEMBL12565623 0.80 PRMT1 (0.47) ALDH1A1MAPK1SUMO2SUMO1SENP7
SCHEMBL5171487 0.76 ALDH1A1 (0.51) ALDH1A1MAPK1SUMO2SUMO1SENP7
SCHEMBL7595777 0.74 S1PR3 (0.33) ALDH1A1GAAMEN1KMT2AS1PR3
SCHEMBL2875633 0.73 ALDH1A1 (0.55) ALDH1A1MAPK1SUMO2SUMO1SENP7
SCHEMBL8702941 0.73 ALDH1A1 (0.44) ALDH1A1MAPK1HSD17B10GAARECQL
SCHEMBL6934634 0.73 S1PR3 (0.33) S1PR3
SCHEMBL11804045 0.72 HSD17B10 (0.41) ALDH1A1SUMO2SUMO1SENP7SENP2
SCHEMBL1762290 0.72 SUMO2 (0.53) ALDH1A1MAPK1SUMO2SUMO1SENP7
SCHEMBL14989032 0.72 SUMO2 (0.53) ALDH1A1MAPK1SUMO2SUMO1SENP7

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
US-5230998-A Viricides AIDA DEVELOPMENT CORPORATION 1993-07-27 US disclosed