SCHEMBL7615938

SCHEMBL7615938

O=P(O)(O)Oc1ccc(O)cc1CC(CCO)c1ccc(O)cc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
INPPL1 O15357 8/20 0.35
INPP5A Q14642 4/20 0.35
AKT1 P31749 1/20 0.35
INPP5B P32019 2/20 0.34
GRM8 O00222 1/20 0.30
GRM4 Q14833 1/20 0.30

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
SCHEMBL7616295 0.90 INPPL1 (0.37) ESR1ESR2INPPL1INPP5AAKT1
SCHEMBL7615976 0.89 INPPL1 (0.34) ESR1ESR2INPPL1INPP5AAKT1
SCHEMBL6395063 0.86 ESR1 (0.48) ESR1ESR2INPPL1INPP5AAKT1
SCHEMBL7620812 0.80 ESR1 (0.38) ESR1ESR2GRM8GRM4
SCHEMBL6396366 0.80 ESR1 (0.45) ESR1ESR2INPPL1INPP5AAKT1
SCHEMBL6401066 0.75 ESR1 (0.51) ESR1ESR2INPPL1INPP5AAKT1
SCHEMBL6401534 0.75 HTR2A (0.39) ESR1ESR2INPPL1INPP5AAKT1
SCHEMBL6396108 0.75 POLB (0.36) ESR1ESR2INPPL1INPP5AAKT1
SCHEMBL28707791 0.73 INPPL1 (0.47) INPPL1INPP5AAKT1INPP5B
SCHEMBL6401818 0.72 INPPL1 (0.36) INPPL1INPP5AAKT1INPP5B

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