SCHEMBL7616031

SCHEMBL7616031

O=P(O)(O)Oc1ccc(O)cc1CCC(CO)c1cccc(O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.37
INPPL1 O15357 6/20 0.34
INPP5A Q14642 4/20 0.34
INPP5B P32019 2/20 0.34
POLB P06746 1/20 0.33
AKT1 P31749 1/20 0.33
CAMK2A Q9UQM7 1/20 0.30
KYNU Q16719 1/20 0.30
HTR1A P08908 2/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRB3 P13945 1/20 0.30
TSHR P16473 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
NFKB1 P19838 1/20 0.30
DRD1 P21728 1/20 0.30

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
SCHEMBL6397756 0.84 HTR2A (0.42) HTR2AINPPL1INPP5AINPP5BPOLB
SCHEMBL7615976 0.83 INPPL1 (0.34) HTR2AINPPL1INPP5AINPP5BPOLB
SCHEMBL6396108 0.80 POLB (0.36) HTR2AINPPL1INPP5AINPP5BPOLB
SCHEMBL6401818 0.77 INPPL1 (0.36) HTR2AINPPL1INPP5AINPP5BPOLB
SCHEMBL7616295 0.76 INPPL1 (0.37) INPPL1INPP5AINPP5BAKT1ESR1
SCHEMBL6394339 0.76 CALM1 (0.44) INPPL1INPP5AINPP5BPOLBAKT1
SCHEMBL6401534 0.75 HTR2A (0.39) HTR2AINPPL1INPP5AINPP5BAKT1
SCHEMBL6404162 0.75 HTR2A (0.42) HTR2AINPPL1INPP5AINPP5BPOLB
SCHEMBL7619950 0.74 ESR1 (0.39) HTR2AINPPL1INPP5AINPP5BPOLB
SCHEMBL6395743 0.74 CALM1 (0.44) INPPL1INPP5AINPP5BPOLBDRD1

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