SCHEMBL2126263

SCHEMBL2126263

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.52
LMNA P02545 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
USP2 O75604 1/20 0.48
SLCO1B1 Q9Y6L6 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PGD P52209 1/20 0.39
KDM4E B2RXH2 2/20 0.36
TGFBR1 P36897 1/20 0.32
OR51E2 Q9H255 1/20 0.32
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL122819 1.00 PDE4A (0.52) PDE4ALMNAL3MBTL1USP2SLCO1B1
SCHEMBL4728437 1.00 PDE4A (0.52) PDE4ALMNAL3MBTL1USP2SLCO1B1
SCHEMBL4638447 1.00 PDE4A (0.52) PDE4ALMNAL3MBTL1USP2SLCO1B1
SCHEMBL7151302 1.00 PDE4A (0.52) PDE4ALMNAL3MBTL1USP2SLCO1B1
SCHEMBL1591176 1.00 PDE4A (0.52) PDE4ALMNAL3MBTL1USP2SLCO1B1
SCHEMBL6665411 1.00 PDE4A (0.52) PDE4ALMNAL3MBTL1USP2SLCO1B1
SCHEMBL1569332 0.92 PDE4A (0.62) PDE4ALMNAL3MBTL1USP2SLCO1B1
SCHEMBL5268306 0.92 PDE4A (0.62) PDE4ALMNAL3MBTL1USP2SLCO1B1
SCHEMBL2912046 0.92 PDE4A (0.62) PDE4ALMNAL3MBTL1USP2SLCO1B1
SCHEMBL20576207 0.92 PDE4A (0.62) PDE4ALMNAL3MBTL1USP2SLCO1B1

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-2442644-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE Bikam Pharmaceuticals, Inc. (US) 2012-04-25 EP disclosed
WO-2008034575-A1 IMINOSUGAR GLYCOCONJUGATES TECHNISCHE UNIVERSITÄT GRAZ (AT) 2008-03-27 WO disclosed