SCHEMBL3282140

SCHEMBL3282140

O=P(O)(O)c1c(O)ccc2cc3ccccc3cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.41
ALDH1A1 P00352 3/20 0.40
ALOX5 P09917 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
PTPN22 Q9Y2R2 1/20 0.38
TRPM4 Q8TD43 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 2/20 0.38
HIF1A Q16665 1/20 0.38
CYP1B1 Q16678 1/20 0.38
NQO2 P16083 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
ERN1 O75460 1/20 0.37
ACMSD Q8TDX5 1/20 0.37
CYP1A2 P05177 2/20 0.36

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
SCHEMBL6560733 0.86 GRIN2D (0.44) PTPN1ALDH1A1ALOX5MEN1KMT2A
SCHEMBL3280396 0.83 PTPN22 (0.52) PTPN1ALDH1A1KDM4EGAAPTPN22
SCHEMBL21164727 0.81 ALDH1A1 (0.42) PTPN1ALDH1A1KDM4EGAATRPM4
SCHEMBL3281191 0.81 ALDH1A1 (0.40) PTPN1ALDH1A1KDM4EGAAMEN1
SCHEMBL634170 0.77 ALDH1A1 (0.38) PTPN1ALDH1A1KDM4EGAAMEN1
SCHEMBL9995586 0.77 ALDH1A1 (0.48) PTPN1ALDH1A1KDM4EGAATRPM4
Phosphoric Acid SCHEMBL8054908 0.77 ALDH1A1 (0.52) PTPN1ALDH1A1KDM4EGAAMEN1
SCHEMBL28549486 0.75 CES2 (0.44) PTPN1ALDH1A1KDM4EPTPN22MEN1
Benzene SCHEMBL28556778 0.75 ALDH1A1 (0.50) PTPN1ALDH1A1KDM4EGAAMEN1
Phosphoric Acid SCHEMBL3264407 0.75 ALDH1A1 (0.50) PTPN1ALDH1A1KDM4EGAAMEN1

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-7704939-B2 Surfactant SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-27 US disclosed
US-20070167343-A1 neutralized salt including alkylbenzenesulphonates (toluenesulfonic acid guanidine salt, toluenesulfonic acid DBU salt, toluenesulfonic acid DBN salt) for cleaning electonics SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2007-07-19 US disclosed