SCHEMBL7613752

SCHEMBL7613752

CCC(c1cccc(O)c1)c1c(O)cccc1OP(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.40
TYR P14679 2/20 0.40
ACHE P22303 2/20 0.40
INPPL1 O15357 2/20 0.39
INPP5B P32019 2/20 0.39
INPP5A Q14642 2/20 0.39
SLC22A1 O15245 1/20 0.39
OPRM1 P35372 1/20 0.39
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
USP2 O75604 1/20 0.35
PDE3A Q14432 1/20 0.35
HIF1A Q16665 4/20 0.35
LMNA P02545 4/20 0.35
GALR3 O60755 1/20 0.35

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
SCHEMBL7620790 0.90 INPPL1 (0.37) BCHETYRACHEINPPL1INPP5B
SCHEMBL6401546 0.85 SLC22A1 (0.42) BCHETYRACHEINPPL1INPP5B
SCHEMBL7622944 0.83 INPPL1 (0.41) TYRINPPL1INPP5BINPP5ASLC22A1
SCHEMBL7620593 0.82 SLC22A1 (0.40) BCHETYRACHEINPPL1INPP5B
SCHEMBL7615265 0.82 SLC22A1 (0.40) BCHETYRACHEINPPL1INPP5B
SCHEMBL6403707 0.80 ADRB1 (0.41) TYRINPPL1INPP5BINPP5AHDAC4
SCHEMBL7616281 0.80 INPPL1 (0.39) INPPL1INPP5BINPP5AKDM4EALDH1A1
SCHEMBL6397631 0.80 HIF1A (0.37) TYRINPPL1INPP5BINPP5ASLC22A1
SCHEMBL7617339 0.80 RORC (0.34) INPPL1INPP5BINPP5ASLC22A1OPRM1
SCHEMBL6398715 0.78 INPPL1 (0.37) BCHETYRACHEINPPL1INPP5B

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