SCHEMBL7615263

SCHEMBL7615263

CC(c1ccc(O)cc1)c1c(O)cc(O)cc1OP(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.42
PDCD1 Q15116 1/20 0.42
ESR2 Q92731 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
INPPL1 O15357 10/20 0.38
INPP5A Q14642 5/20 0.38
INPP5B P32019 2/20 0.38
TYR P14679 1/20 0.36
AKT1 P31749 1/20 0.35
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
PPARG P37231 1/20 0.33
KMT2A Q03164 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 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
SCHEMBL6397735 0.85 INPPL1 (0.35) ESR1PDCD1ESR2CD274INPPL1
SCHEMBL7617241 0.85 INPPL1 (0.37) INPPL1INPP5AINPP5BTYRAKT1
SCHEMBL7622367 0.83 INPPL1 (0.44) ESR1PDCD1ESR2CD274INPPL1
SCHEMBL7619707 0.82 POLB (0.37) ESR1INPPL1INPP5AINPP5BTYR
SCHEMBL6398355 0.82 ESR1 (0.34) ESR1ESR2INPPL1INPP5AINPP5B
SCHEMBL6396820 0.80 ESR1 (0.44) ESR1ESR2INPPL1INPP5AINPP5B
SCHEMBL7616672 0.80 TDP1 (0.37) ESR1ESR2INPPL1INPP5AINPP5B
SCHEMBL7616785 0.79 ESR1 (0.44) ESR1PDCD1ESR2CD274INPPL1
SCHEMBL7616320 0.78 ESR1 (0.46) ESR1PDCD1ESR2CD274TYR
SCHEMBL6397849 0.77 ESR1 (0.43) ESR1PDCD1ESR2CD274INPPL1

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