SCHEMBL7622367

SCHEMBL7622367

CC(c1ccc(O)cc1)c1c(O)cccc1OP(=O)(O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 4/20 0.44
INPP5A Q14642 4/20 0.44
INPP5B P32019 2/20 0.44
ESR1 P03372 1/20 0.42
PDCD1 Q15116 1/20 0.42
ESR2 Q92731 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
SRC P12931 4/20 0.36
HTR2A P28223 1/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
PDE3A Q14432 1/20 0.36
HSD17B10 Q99714 1/20 0.36
AKT1 P31749 1/20 0.35
GAA P10253 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 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
SCHEMBL7622944 0.86 INPPL1 (0.41) INPPL1INPP5AINPP5BSRCHTR2A
SCHEMBL6395881 0.85 INPPL1 (0.41) INPPL1INPP5AINPP5BESR1PDCD1
SCHEMBL7615263 0.83 ESR1 (0.42) INPPL1INPP5AINPP5BESR1PDCD1
SCHEMBL6397337 0.82 INPPL1 (0.38) INPPL1INPP5AINPP5BESR1ESR2
SCHEMBL6402761 0.80 ESR1 (0.44) INPPL1INPP5AINPP5BESR1ESR2
SCHEMBL7619530 0.80 INPPL1 (0.39) INPPL1INPP5AINPP5BESR1ESR2
SCHEMBL7622352 0.78 ESR1 (0.46) ESR1PDCD1ESR2CD274KDM4E
SCHEMBL30142689 0.78 ESR1 (0.62) ESR1PDCD1ESR2CD274KDM4E
SCHEMBL6396330 0.77 INPPL1 (0.41) INPPL1INPP5AINPP5BESR1PDCD1
SCHEMBL6399179 0.77 INPPL1 (0.41) INPPL1INPP5AINPP5BSRCHTR2A

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