SCHEMBL3431986

SCHEMBL3431986

C=CC(=O)C(N)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.57
SLCO1B1 Q9Y6L6 1/20 0.57
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PDE4A P27815 1/20 0.41
KDM4E B2RXH2 2/20 0.32

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
SCHEMBL9549501 1.00 USP2 (0.57) USP2SLCO1B1TDP1LMNAL3MBTL1
SCHEMBL8207416 0.80 USP2 (0.61) USP2SLCO1B1TDP1LMNAL3MBTL1
SCHEMBL9937658 0.80 USP2 (0.61) USP2SLCO1B1TDP1LMNAL3MBTL1
SCHEMBL5682504 0.79 USP2 (0.55) USP2SLCO1B1TDP1LMNAL3MBTL1
SCHEMBL18452554 0.78 PDE4A (0.56) USP2SLCO1B1TDP1LMNAL3MBTL1
SCHEMBL27810471 0.78 PDE4A (0.56) USP2SLCO1B1TDP1LMNAL3MBTL1
SCHEMBL1080339 0.76 USP2 (0.55) USP2SLCO1B1TDP1LMNAL3MBTL1
SCHEMBL133814 0.76 USP2 (0.55) USP2SLCO1B1TDP1LMNAL3MBTL1
SCHEMBL1696945 0.76 USP2 (0.55) USP2SLCO1B1TDP1LMNAL3MBTL1
SCHEMBL8323167 0.75 PDE4A (0.46) USP2SLCO1B1TDP1LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257796-A2 METHOD FOR THE PURIFICATION OF BIOLOGICAL MACROMOLECULES Oregon Health and Science University (US) 2010-12-08 EP claimed
WO-2009114315-A2 METHOD FOR THE PURIFICATION OF BIOLOGICAL MACROMOLECULES OREGON HEALTH & SCIENCE UNVIERSITY (US) 2009-09-17 WO claimed
WO-2008051985-A2 METHOD FOR SEPARATION AND IDENTIFICATION OF BIOMOLECULES USING UNCONVENTIONAL GEL ELECTROPHORESIS AND DETECTION OF SINGLE NANOPARTICLE PROBES OREGON HEALTH & SCIENCE UNIVERSITY (US) 2008-05-02 WO claimed