SCHEMBL4601140

SCHEMBL4601140

O=C[C@H](OCc1ccccc1)[C@H](O)[C@H](O)CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.43
SLC1A2 P43004 2/20 0.43
SLC1A1 P43005 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RCE1 Q9Y256 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC6A2 P23975 1/20 0.34

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
SCHEMBL5271501 1.00 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL1560449 1.00 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL27671081 1.00 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL27671067 0.95 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL16059792 0.95 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL9095023 0.95 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL3007008 0.95 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL10351575 0.95 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL27689816 0.90 SLC1A3 (0.45) SLC1A3SLC1A2SLC1A1KMT2AMEN1
Deoxyglucose SCHEMBL27671070 0.88 SLC1A3 (0.37) SLC1A3SLC1A2SLC1A1KMT2AMEN1

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
EP-1913011-A2 OLIGONUCLEOTIDES COMPRISING A LIGAND TETHERED TO A MODIFIED OR NON-NATURAL NUCLEOBASE Alnylam Pharmaceuticals Inc. (US) 2008-04-23 EP disclosed
WO-2006112872-A2 OLIGONUCLEOTIDES COMPRISING A LIGAND TETHERED TO A MODIFIED OR NON-NATURAL NUCLEOBASE ALNYLAM PHARMACEUTICALS, INC. (US) 2006-10-26 WO disclosed