SCHEMBL7616672

SCHEMBL7616672

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.37
MAPK1 P28482 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
F2 P00734 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
HTT P42858 1/20 0.33
INPPL1 O15357 1/20 0.33
INPP5B P32019 1/20 0.33
INPP5A Q14642 1/20 0.33
RORC P51449 2/20 0.33
GFER P55789 1/20 0.33
GRM8 O00222 1/20 0.32
GRM4 Q14833 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
SCHEMBL7619707 0.90 POLB (0.37) TDP1MAPK1MEN1KMT2AF2
SCHEMBL7617339 0.87 RORC (0.34) TDP1MAPK1MEN1KMT2AKDM4E
SCHEMBL7619530 0.85 INPPL1 (0.39) TDP1MAPK1MEN1KMT2AKDM4E
SCHEMBL7618762 0.82 F2 (0.39) TDP1F2KDM4EMAPTESR1
SCHEMBL7622726 0.81 ESR1 (0.37) TDP1MAPK1MEN1KMT2AF2
SCHEMBL7615263 0.80 ESR1 (0.42) MEN1KMT2AMAPTESR1ESR2
SCHEMBL6396820 0.80 ESR1 (0.44) TDP1MAPTESR1ESR2INPPL1
SCHEMBL7618825 0.80 F2 (0.39) TDP1F2KDM4EMAPTESR1
SCHEMBL6397735 0.77 INPPL1 (0.35) MEN1KMT2AMAPTESR1ESR2
SCHEMBL6398355 0.77 ESR1 (0.34) TDP1KDM4EESR1ESR2INPPL1

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