SCHEMBL17445487

SCHEMBL17445487

O=C1C=C(SCCCS(=O)(=O)O)c2ccccc2C1=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 12/20 0.51
S100A4 P26447 4/20 0.51
MAP2K7 O14733 2/20 0.47
CDC25A P30304 2/20 0.47
CDC25B P30305 2/20 0.47
P4HB P07237 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
PTPN22 Q9Y2R2 1/20 0.41
PTPN1 P18031 1/20 0.39
APAF1 O14727 1/20 0.39

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
SCHEMBL4629512 0.80 S100A4 (0.76) SOAT1S100A4MAP2K7CDC25ACDC25B
SCHEMBL4848419 0.79 SOAT1 (0.78) SOAT1S100A4MAP2K7CDC25ACDC25B
SCHEMBL17445488 0.76 CDC25B (0.78) SOAT1S100A4MAP2K7CDC25ACDC25B
SCHEMBL4657692 0.71 CDC25B (0.56) SOAT1S100A4MAP2K7CDC25ACDC25B
SCHEMBL11842736 0.71 ALDH1A1 (0.56) ALDH1A1KDM4ECYP3A4MAPK1
SCHEMBL4784115 0.69 PTPRC (0.50) SOAT1S100A4MAP2K7CDC25ACDC25B
SCHEMBL2599427 0.68 SOAT1 (1.00) SOAT1S100A4MAP2K7CDC25ACDC25B
SCHEMBL9267240 0.68 S100A4 (0.69) SOAT1S100A4MAP2K7CDC25ACDC25B
SCHEMBL18921828 0.68 CYP1A2 (0.58) ALDH1A1KDM4ECYP3A4MAPTMAPK1
SCHEMBL18921847 0.68 CYP1A2 (0.58) ALDH1A1KDM4ECYP3A4MAPTMAPK1

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
US-20160017399-A1 ELECTROCHEMICAL-BASED ANALYTICAL TEST STRIP WITH ENZYMATIC REAGENT LAYER CONTAINING A NAPHTHOQUINONE-BASED MEDIATOR AND FAD-GDH LIFESCAN SCOTLAND LIMITED (GB) 2016-01-21 US disclosed
US-20160017399-A1 ELECTROCHEMICAL-BASED ANALYTICAL TEST STRIP WITH ENZYMATIC REAGENT LAYER CONTAINING A NAPHTHOQUINONE-BASED MEDIATOR AND FAD-GDH LIFESCAN SCOTLAND LIMITED (GB) 2016-01-21 US disclosed