SCHEMBL7621621

SCHEMBL7621621

O=P(O)(O)c1ccc(O)cc1CC(CCO)c1cccc(O)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
KYNU Q16719 1/20 0.32
HIF1A Q16665 3/20 0.32
ADRB1 P08588 2/20 0.32
ADRA1A P35348 2/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
ADRB2 P07550 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRB3 P13945 1/20 0.32
TSHR P16473 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
NFKB1 P19838 1/20 0.32
DRD1 P21728 1/20 0.32
HTR7 P34969 1/20 0.32
ADRA1B P35368 1/20 0.32
DRD3 P35462 1/20 0.32
RAB9A P51151 1/20 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
SCHEMBL7620812 0.88 ESR1 (0.38) ESR1ESR2
SCHEMBL6395780 0.86 ESR1 (0.38) POLBKYNUHIF1AADRB1ADRA1A
SCHEMBL7615976 0.81 INPPL1 (0.34) POLBKYNUHIF1AADRB1ADRA1A
SCHEMBL7614967 0.81 POLB (0.32) POLBKYNUHIF1AADRB1ADRA1A
SCHEMBL6403717 0.80 ADRB1 (0.39) POLBKYNUHIF1AADRB1ADRA1A
SCHEMBL7625093 0.77 ESR1 (0.41) POLBKYNUHIF1AADRB1ADRA1A
SCHEMBL6402386 0.75 ESR1 (0.38) POLBKYNUHIF1AADRB1ADRA1A
SCHEMBL6394487 0.75 ADRB1 (0.37) POLBKYNUHIF1AADRB1ADRA1A
SCHEMBL6402444 0.73 ESR1 (0.51) ADRA1AESR1ESR2DRD1DRD3
SCHEMBL7615036 0.71 INPPL1 (0.36) POLBKDM4EGAAHTR2A

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-1175425-A2 INHIBITORS OF INTESTINAL APICAL MEMBRANE NA/PHOSPHATE CO-TRANSPORTATION THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2002-01-30 EP disclosed
WO-2000043402-A2 INHIBITORS OF INTESTINAL APICAL MEMBRANE NA/PHOSPHATE CO-TRANSPORTATION BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2000-07-27 WO disclosed