SCHEMBL13868797

SCHEMBL13868797

OCC1OC(Oc2ccc3ccc4cccc5ccc2c3c45)C(O)C(O)C1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.52
SLC28A3 Q9HAS3 2/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
SLC5A2 P31639 2/20 0.51
SLC5A1 P13866 1/20 0.51
TYR P14679 2/20 0.50
EPHX2 P34913 1/20 0.50
CD209 Q9NNX6 1/20 0.50
ACHE P22303 1/20 0.49
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
CASP1 P29466 2/20 0.47
CASP7 P55210 2/20 0.47
HSD17B10 Q99714 2/20 0.47
HIF1A Q16665 1/20 0.47
CYP2C19 P33261 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL4513194 1.00 ATM (0.52) ATMSLC28A3KMT2AMEN1SLC5A2
SCHEMBL15202628 1.00 ATM (0.52) ATMSLC28A3KMT2AMEN1SLC5A2
SCHEMBL4511980 1.00 ATM (0.52) ATMSLC28A3KMT2AMEN1SLC5A2
SCHEMBL9185613 0.99 SLC28A3 (0.50) ATMSLC28A3KMT2AMEN1SLC5A2
SCHEMBL14140233 0.89 SLC28A3 (0.44) ATMSLC28A3KMT2AMEN1SLC5A2
SCHEMBL4527034 0.85 CD209 (0.38) ATMSLC28A3KMT2AMEN1SLC5A2
SCHEMBL4527037 0.83 TYR (0.58) SLC5A2SLC5A1TYRCD209KDM4E
SCHEMBL23479818 0.82 CD209 (0.70) ATMSLC28A3SLC5A2SLC5A1TYR
SCHEMBL3742958 0.82 CD209 (0.70) ATMSLC28A3SLC5A2SLC5A1TYR
SCHEMBL4609196 0.82 CD209 (0.70) ATMSLC28A3SLC5A2SLC5A1TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377686-B2 Detection of biological molecules by differential partitioning of enzyme substrates and products QUEEN'S UNIVERSITY AT KINGSTON (CA) 2013-02-19 US disclosed
US-20090117600-A1 Detection of biological molecules by differential partitioning of enzyme substrates and products QUEEN'S UNIVERSITY AT KINGSTON (CA) 2009-05-07 US disclosed