SCHEMBL7620549

SCHEMBL7620549

CC(c1cccc(O)c1)c1ccc(O)cc1P(=O)(O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.49
ADRB1 P08588 2/20 0.42
ADRA1A P35348 2/20 0.42
MIF P14174 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2B P41595 1/20 0.42
HIF1A Q16665 4/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
ADRB2 P07550 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRB3 P13945 1/20 0.37
TSHR P16473 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
NFKB1 P19838 1/20 0.37
DRD1 P21728 1/20 0.37

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
SCHEMBL6402426 0.85 ADRB1 (0.45) TYRADRB1ADRA1AMIFHTR2A
SCHEMBL7613434 0.84 OPRM1 (0.43) TYRADRB1ADRA1AMIFHTR2A
SCHEMBL7618934 0.82 HIF1A (0.36) TYRADRB1ADRA1AMIFHTR2A
SCHEMBL6397993 0.82 HIF1A (0.40) TYRADRB1ADRA1AMIFHTR2A
SCHEMBL7621421 0.80 HIF1A (0.37) TYRADRB1ADRA1AMIFHTR2A
SCHEMBL6396452 0.79 OPRM1 (0.45) TYRADRB1ADRA1AMIFHTR2A
SCHEMBL7618317 0.79 ADRB1 (0.41) TYRADRB1ADRA1AMIFHTR2A
SCHEMBL6396095 0.77 MAPT (0.43) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL7622196 0.77 TYR (0.41) TYRADRB1ADRA1AMIFHTR2A
SCHEMBL6396467 0.77 ADRB1 (0.39) ADRB1ADRA1AMIFHTR2AHTR2B

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