SCHEMBL6451124

SCHEMBL6451124

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

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.52
SLC6A2 P23975 2/20 0.48
PTPN1 P18031 1/20 0.43
SLC5A1 P13866 1/20 0.43
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
SLC5A2 P31639 3/20 0.40
HRAS P01112 1/20 0.40
LGALS8 O00214 1/20 0.40

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
SCHEMBL7703749 1.00 PDE4D (0.52) PDE4DSLC6A2PTPN1SLC5A1TSHR
SCHEMBL7703752 1.00 PDE4D (0.52) PDE4DSLC6A2PTPN1SLC5A1TSHR
SCHEMBL7703756 1.00 PDE4D (0.52) PDE4DSLC6A2PTPN1SLC5A1TSHR
SCHEMBL7703707 0.87 PDE4D (0.43) PDE4DSLC6A2TSHRCYP2C19
SCHEMBL7703704 0.87 PDE4D (0.43) PDE4DSLC6A2TSHRCYP2C19
SCHEMBL7703702 0.87 PDE4D (0.43) PDE4DSLC6A2TSHRCYP2C19
SCHEMBL9856549 0.83 MAN1B1 (0.44) PDE4D
SCHEMBL9856460 0.82 PDE4D (0.39) PDE4DSLC6A2
SCHEMBL7703088 0.81 PDE4D (0.41) PDE4DSLC6A2
SCHEMBL7703090 0.81 PDE4D (0.41) PDE4DSLC6A2

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-1461046-A4 FLUORINATED GLUCOSAMINE ANALOGS USEFUL FOR MODULATING POST-TRANSLATIONAL GLYCOSYLATIONS ON CELLS BRIGHAM & WOMENS HOSPITAL (US) 2005-06-22 EP claimed
EP-1461046-A2 FLUORINATED GLUCOSAMINE ANALOGS USEFUL FOR MODULATING POST-TRANSLATIONAL GLYCOSYLATIONS ON CELLS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2004-09-29 EP claimed
WO-2003093410-A2 FLUORINATED GLUCOSAMINE ANALOGS USEFUL FOR MODULATING POST-TRANSLATIONAL GLYCOSYLATIONS ON CELLS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2003-11-13 WO claimed
WO-2021155748-A1 INHIBITORS OF MALARIAL AND PLASMODIUM FALCIPARUM HEXOSE TRANSPORTER AND USES THEREOF TSINGHUA UNIVERSITY (CN) 2021-08-12 WO disclosed