SCHEMBL29604376

SCHEMBL29604376

CCOC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cnc1C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
UCHL1 P09936 1/20 0.42
KDM4E B2RXH2 4/20 0.41
DGAT1 O75907 1/20 0.40
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 2/20 0.38
HSD17B10 Q99714 1/20 0.38
PDGFRB P09619 1/20 0.37
KDR P35968 1/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HIF1A Q16665 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL21198942 1.00 GSK3A (0.42) GSK3AGSK3BUCHL1KDM4EDGAT1
SCHEMBL17464375 0.86 DGAT1 (0.44) GSK3AGSK3BUCHL1DGAT1PDGFRB
SCHEMBL30963226 0.86 DGAT1 (0.44) GSK3AGSK3BUCHL1DGAT1PDGFRB
SCHEMBL21199644 0.84 KDM4E (0.47) GSK3AGSK3BUCHL1KDM4EDGAT1
SCHEMBL3450902 0.83 AAK1 (0.40) GSK3AGSK3BUCHL1DGAT1ALDH1A1
SCHEMBL16077123 0.83 DGAT1 (0.40) GSK3AGSK3BDGAT1PDGFRBKDR
SCHEMBL19797952 0.82 GSK3A (0.41) GSK3AGSK3BDGAT1PDGFRBKDR
SCHEMBL3798489 0.82 PDGFRB (0.43) GSK3AGSK3BKDM4EDGAT1PDGFRB
SCHEMBL3448994 0.80 UCHL1 (0.38) GSK3AGSK3BUCHL1DGAT1ALDH1A1
SCHEMBL3449126 0.80 GSK3A (0.36) GSK3AGSK3BUCHL1KDM4EDGAT1

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
EP-3983074-A1 PYRIDINE CARBAMATES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2022-04-20 EP disclosed