SCHEMBL5199522

SCHEMBL5199522

CC(=O)OC[C@H]1OC(OC(C)=O)[C@H](OC(C)=O)[C@@H](Oc2c(C)ccc3ccccc23)[C@@H]1OC(C)=O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
TSHR P16473 1/20 0.49
PRKCA P17252 1/20 0.49
AKT1 P31749 1/20 0.49
PTK2 Q05397 1/20 0.49
KMT2A Q03164 1/20 0.47
CYP2D6 P10635 1/20 0.45
THRB P10828 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.44
TGM2 P21980 1/20 0.44

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
SCHEMBL7078462 1.00 LMNA (0.51) LMNATSHRPRKCAAKT1PTK2
SCHEMBL5200865 0.89 TSHR (0.48) LMNATSHRPRKCAAKT1PTK2
SCHEMBL7075802 0.85 KDM4E (0.47) LMNATSHRALDH1A1KDM4E
SCHEMBL6690906 0.82 P4HB (0.53) LMNATSHRPRKCAAKT1PTK2
Catechol SCHEMBL6657117 0.78 TSHR (0.62) LMNATSHRPRKCAAKT1PTK2
SCHEMBL23330709 0.76 CYP2D6 (0.70) LMNATSHRKMT2ACYP2D6THRB
SCHEMBL3313146 0.76 CYP2D6 (0.70) LMNATSHRKMT2ACYP2D6THRB
SCHEMBL7153175 0.76 CYP2D6 (0.70) LMNATSHRKMT2ACYP2D6THRB
SCHEMBL13621664 0.76 CYP2D6 (0.70) LMNATSHRKMT2ACYP2D6THRB
SCHEMBL20524278 0.76 CYP2D6 (0.70) LMNATSHRKMT2ACYP2D6THRB

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-1252171-B1 METHOD FOR PREPARING FUNCTIONALISED BETA-(1,3)-GLUCAN DERIVATIVES GOEMAR LAB SA (FR) 2007-08-15 EP disclosed
US-20030045706-A1 Method for preparing functionalised beta-(1,3)-glucan derivatives LABORATOIRES GOEMAR (FR) 2003-03-06 US disclosed
EP-1252171-A1 METHOD FOR PREPARING FUNCTIONALISED BETA-(1,3)-GLUCAN DERIVATIVES LABORATOIRES GOEMAR S.A. (FR) 2002-10-30 EP disclosed
WO-2001057053-A1 METHOD FOR PREPARING FUNCTIONALISED BETA-(1,3)-GLUCAN DERIVATIVES LABORATOIRES GOEMAR (FR) 2001-08-09 WO disclosed