SCHEMBL7209330

SCHEMBL7209330

O[C@H]1[C@H](O)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](O)[C@@H]1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.53
MTOR P42345 1/20 0.53
BCHE P06276 3/20 0.47
TSHR P16473 2/20 0.44
SLC6A2 P23975 2/20 0.44
ALDH1A1 P00352 3/20 0.43
ACHE P22303 2/20 0.41
IDO1 P14902 1/20 0.41
GRM2 Q14416 1/20 0.41
GRM3 Q14832 1/20 0.41
AGXT P21549 1/20 0.40
TACR1 P25103 2/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSK P43235 1/20 0.40
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
PTGS1 P23219 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL8194117 1.00 PDPK1 (0.53) PDPK1MTORBCHETSHRSLC6A2
SCHEMBL10670492 1.00 PDPK1 (0.53) PDPK1MTORBCHETSHRSLC6A2
SCHEMBL7622555 1.00 PDPK1 (0.53) PDPK1MTORBCHETSHRSLC6A2
SCHEMBL4865025 1.00 PDPK1 (0.53) PDPK1MTORBCHETSHRSLC6A2
SCHEMBL10670535 1.00 PDPK1 (0.53) PDPK1MTORBCHETSHRSLC6A2
SCHEMBL9439391 1.00 PDPK1 (0.53) PDPK1MTORBCHETSHRSLC6A2
SCHEMBL9455955 0.96 PDPK1 (0.53) PDPK1MTORBCHETSHRSLC6A2
SCHEMBL10678791 0.96 PDPK1 (0.53) PDPK1MTORBCHETSHRSLC6A2
SCHEMBL4350755 0.96 PDPK1 (0.56) PDPK1MTORBCHETSHRSLC6A2
SCHEMBL7921748 0.96 PDPK1 (0.56) PDPK1MTORBCHETSHRSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021388-B1 PHOSPHORYLATION PROCESS AND CATALYST BIONERIS AB (SE) 2003-06-25 EP disclosed
US-6479656-B1 Phosphorylation process and catalyst PERSTORP AB (SE) 2002-11-12 US disclosed
EP-0354904-A1 INOSITOL PHOSPHATE ANALOGUES 3i RESEARCH EXPLOITATION LIMITED (GB) 1990-02-21 EP disclosed
WO-1988007047-A1 INOSITOL PHOSPHATE ANALOGUES RESEARCH CORPORATION LIMITED (GB) 1988-09-22 WO disclosed