SCHEMBL7720528

SCHEMBL7720528

O=P(OCc1ccccc1)(OCc1ccccc1)O[C@@H]1[C@@H](OP(=O)(OCc2ccccc2)OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](O)[C@@H](O)[C@H]1OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.65
MTOR P42345 1/20 0.65
TSHR P16473 1/20 0.53
FUCA1 P04066 1/20 0.42
SRC P12931 1/20 0.40
CETP P11597 3/20 0.39
BCHE P06276 1/20 0.39
ALDH1A1 P00352 1/20 0.37
GRM2 Q14416 1/20 0.36
GRM3 Q14832 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ELANE P08246 1/20 0.36
ALPG P10696 1/20 0.36
PTK2B Q14289 1/20 0.36

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
SCHEMBL13109573 0.97 PDPK1 (0.65) PDPK1MTORTSHRFUCA1SRC
SCHEMBL5830234 0.97 PDPK1 (0.65) PDPK1MTORTSHRFUCA1SRC
SCHEMBL13109619 0.95 PDPK1 (0.68) PDPK1MTORTSHRFUCA1SRC
SCHEMBL9874053 0.95 PDPK1 (0.63) PDPK1MTORTSHRFUCA1SRC
SCHEMBL14094690 0.91 PDPK1 (0.73) PDPK1MTORTSHRFUCA1SRC
SCHEMBL9874266 0.89 TSHR (0.53) PDPK1MTORTSHRFUCA1SRC
SCHEMBL5023249 0.87 TSHR (0.55) PDPK1MTORTSHRFUCA1SRC
SCHEMBL4340900 0.87 PDPK1 (0.61) PDPK1MTORTSHRFUCA1SRC
SCHEMBL4345266 0.87 PDPK1 (0.61) PDPK1MTORTSHRFUCA1SRC
SCHEMBL15132614 0.84 PDPK1 (0.63) PDPK1MTORTSHRFUCA1CETP

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376697-B1 Labelled phosphoinositides and analogues NUTRIMED BIOTECH 2002-04-23 US disclosed