SCHEMBL6575740

SCHEMBL6575740

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.58
MTOR P42345 1/20 0.58
BCHE P06276 3/20 0.47
TSHR P16473 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
SLC6A2 P23975 2/20 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
SCHEMBL9294599 1.00 PDPK1 (0.58) PDPK1MTORBCHETSHRALDH1A1
SCHEMBL11008169 0.98 PDPK1 (0.59) PDPK1MTORBCHETSHRALDH1A1
SCHEMBL13207995 0.98 PDPK1 (0.59) PDPK1MTORBCHETSHRALDH1A1
SCHEMBL31175740 0.98 PDPK1 (0.59) PDPK1MTORBCHETSHRALDH1A1
SCHEMBL9452147 0.98 PDPK1 (0.59) PDPK1MTORBCHETSHRALDH1A1
SCHEMBL10372399 0.98 PDPK1 (0.55) PDPK1MTORBCHETSHRALDH1A1
SCHEMBL1117739 0.98 PDPK1 (0.59) PDPK1MTORBCHETSHRALDH1A1
SCHEMBL857551 0.98 PDPK1 (0.59) PDPK1MTORBCHETSHRALDH1A1
SCHEMBL13207930 0.98 PDPK1 (0.59) PDPK1MTORBCHETSHRALDH1A1
SCHEMBL6366009 0.98 PDPK1 (0.59) PDPK1MTORBCHETSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019418-B1 INOSITOL DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM BIONERIS AB (SE) 2004-04-28 EP disclosed
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-1021388-A1 PHOSPHORYLATION PROCESS AND CATALYST PERSTORP AB (SE) 2000-07-26 EP disclosed
WO-1997034853-A1 PHOSPHORYLATION PROCESS AND CATALYST PERSTORP AB (SE) 1997-09-25 WO disclosed