SCHEMBL6892952

SCHEMBL6892952

O=P(O)(O)Sc1ccc(O)cc1C(O)C(CO)c1cccc(O)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.35
ADRA1A P35348 2/20 0.35
MIF P14174 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2B P41595 1/20 0.35
HIF1A Q16665 4/20 0.33
KYNU Q16719 1/20 0.33
POLB P06746 1/20 0.33
ADRB2 P07550 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRB3 P13945 1/20 0.33
TSHR P16473 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
NFKB1 P19838 1/20 0.33
DRD1 P21728 1/20 0.33
HTR7 P34969 1/20 0.33
ADRA1B P35368 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL6399774 0.89 OPRM1 (0.42) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL6395098 0.82 ADRB1 (0.42) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL6396445 0.80 OPRM1 (0.42) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL6394496 0.78 ESR1 (0.45) ADRA1ADRD1DRD3SLC6A3LMNA
SCHEMBL6403806 0.77 HIF1A (0.38) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL6396614 0.74 SLC6A2 (0.37) MIFNFKB1DRD1SLC6A3
SCHEMBL6399062 0.73 ESR1 (0.33) ESR1ESR2
SCHEMBL6402423 0.72 ADRB1 (0.42) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL6395856 0.72 ANPEP (0.41) ADRB1MIFADRB2DRD1OPRM1
SCHEMBL6401536 0.71 SLC22A1 (0.41) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6787528-B2 THERAPY FOR KIDNEY DISEASES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2004-09-07 US disclosed