SCHEMBL4143697

SCHEMBL4143697

CC(C)(C)OC(=O)[C@@H]1CN[C@H](C(=O)O)[C@H]1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GRIK2 Q13002 3/20 0.36
ALDH1A1 P00352 2/20 0.36
GRIK1 P39086 2/20 0.36
GRIK3 Q13003 2/20 0.36
MAPK1 P28482 1/20 0.36
TSHR P16473 1/20 0.36
THPO P40225 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
GRM5 P41594 1/20 0.36
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36
BLM P54132 1/20 0.36
GRIK4 Q16099 1/20 0.36
GRIK5 Q16478 1/20 0.36

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
SCHEMBL27480191 0.81 MAPK1 (0.33) MAPK1HPSE
SCHEMBL1366378 0.81 PKM (0.36) SLC1A2MEN1KMT2AGRIK2ALDH1A1
SCHEMBL17756064 0.75 SLC1A2 (0.58) SLC1A2MEN1KMT2ABLMSLC1A1
SCHEMBL3427826 0.75 SLC1A2 (0.58) SLC1A2MEN1KMT2ABLMSLC1A1
SCHEMBL6225233 0.73 BTK (0.36) SLC1A2MEN1KMT2AGRIK2ALDH1A1
SCHEMBL11459266 0.72 ARG1 (0.37) SLC1A2MEN1KMT2AGRIK2ALDH1A1
SCHEMBL2177343 0.72 MEN1 (0.61) SLC1A2MEN1KMT2ABLM
SCHEMBL17756096 0.72 MEN1 (0.61) SLC1A2MEN1KMT2ABLM
SCHEMBL630081 0.71 SLC1A2 (0.49) SLC1A2MEN1KMT2ABLM
SCHEMBL12909511 0.71 MAPK1 (0.39) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009074569-A1 TARGETING AND THERAPEUTIC COMPOUNDS WITH A POLYPROLINE-COMPRISING SPACER AND GAS-FILLED MICROVESICLES COMPRISING SAID COMPOUNDS BRACCO INTERNATIONAL BV (NL) 2009-06-18 WO disclosed