SCHEMBL7622196

SCHEMBL7622196

CC(c1cccc(O)c1)c1cc(O)ccc1OP(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.41
INPPL1 O15357 6/20 0.39
INPP5A Q14642 4/20 0.39
INPP5B P32019 2/20 0.39
ADRB1 P08588 2/20 0.39
ADRA1A P35348 2/20 0.39
HTR2A P28223 2/20 0.39
MIF P14174 1/20 0.39
HTR2B P41595 1/20 0.39
AKT1 P31749 1/20 0.38
POLB P06746 1/20 0.36
HIF1A Q16665 2/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
ADRB2 P07550 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRB3 P13945 1/20 0.34

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
SCHEMBL7613747 0.87 ESR1 (0.44) TYRINPPL1INPP5AINPP5BAKT1
SCHEMBL6396289 0.85 ADRB1 (0.42) TYRINPPL1INPP5AINPP5BADRB1
SCHEMBL7615265 0.84 SLC22A1 (0.40) TYRINPPL1INPP5AINPP5BADRB1
SCHEMBL7618814 0.83 INPPL1 (0.38) INPPL1INPP5AINPP5BADRB1ADRA1A
SCHEMBL6397897 0.82 HIF1A (0.38) INPPL1INPP5AINPP5BADRB1ADRA1A
SCHEMBL7622158 0.81 INPPL1 (0.35) INPPL1INPP5AINPP5BADRB1ADRA1A
SCHEMBL6397848 0.80 OPRM1 (0.42) INPPL1INPP5AINPP5BADRB1ADRA1A
SCHEMBL7622944 0.80 INPPL1 (0.41) TYRINPPL1INPP5AINPP5BADRB1
SCHEMBL6395800 0.79 INPPL1 (0.36) INPPL1INPP5AINPP5BADRB1ADRA1A
SCHEMBL7621447 0.79 INPPL1 (0.36) INPPL1INPP5AINPP5BADRB1ADRA1A

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