SCHEMBL7616281

SCHEMBL7616281

CC(=O)C(c1cccc(O)c1)c1c(O)cccc1OP(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 6/20 0.39
INPP5A Q14642 3/20 0.39
INPP5B P32019 2/20 0.39
KDM4E B2RXH2 2/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
PDE3A Q14432 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 2/20 0.34
CYP3A4 P08684 1/20 0.33
LMNA P02545 1/20 0.33
HIF1A Q16665 1/20 0.33
SRC P12931 2/20 0.33
ADRB1 P08588 1/20 0.33
MIF P14174 1/20 0.33
HTR2A P28223 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
NPC1 O15118 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
SCHEMBL7617306 0.89 INPPL1 (0.36) INPPL1INPP5AINPP5BKDM4EUSP2
SCHEMBL7622944 0.86 INPPL1 (0.41) INPPL1INPP5AINPP5BKDM4EUSP2
SCHEMBL7618814 0.81 INPPL1 (0.38) INPPL1INPP5AINPP5BKDM4EUSP2
SCHEMBL6403707 0.80 ADRB1 (0.41) INPPL1INPP5AINPP5BKDM4EUSP2
SCHEMBL7613752 0.80 BCHE (0.40) INPPL1INPP5AINPP5BKDM4EUSP2
SCHEMBL7620790 0.78 INPPL1 (0.37) INPPL1INPP5AINPP5BKDM4EUSP2
SCHEMBL6401546 0.78 SLC22A1 (0.42) INPPL1INPP5AINPP5BKDM4EPOLB
SCHEMBL6397631 0.77 HIF1A (0.37) INPPL1INPP5AINPP5BKDM4EALDH1A1
SCHEMBL7613847 0.77 INPPL1 (0.36) INPPL1INPP5AINPP5BKDM4EUSP2
SCHEMBL6396962 0.75 INPPL1 (0.39) INPPL1INPP5AINPP5BKDM4EUSP2

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