SCHEMBL29952585

SCHEMBL29952585

CC(C)(C)OC(=O)Nc1cccc(CC=O)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.42
SCN9A Q15858 4/20 0.39
LCK P06239 2/20 0.39
CHRNB2 P17787 2/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA4 P43681 2/20 0.38
NR3C2 P08235 1/20 0.38
GLS O94925 1/20 0.38
CYP17A1 P05093 3/20 0.37
BCHE P06276 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
MAPK8 P45983 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
SCHEMBL6682298 0.89 CCR2 (0.41) CCR2SCN9ALCKCHRNB2CHRNB4
SCHEMBL30396325 0.85 CCR2 (0.42) CCR2SCN9ALCKCHRNB2CHRNB4
SCHEMBL465792 0.85 CCR2 (0.42) CCR2SCN9ALCKCHRNB2CHRNB4
SCHEMBL4076010 0.85 CHRNB2 (0.51) CCR2SCN9ALCKCHRNB2CHRNB4
SCHEMBL2827164 0.83 GLS (0.42) CCR2SCN9ALCKCHRNB2CHRNB4
SCHEMBL21198393 0.83 CCR2 (0.42) CCR2SCN9ALCKCHRNB2CHRNB4
SCHEMBL29988292 0.83 GLS (0.42) CCR2SCN9ALCKCHRNB2CHRNB4
SCHEMBL1022260 0.83 GLS (0.42) CCR2SCN9ALCKCHRNB2CHRNB4
SCHEMBL6681771 0.83 CCR2 (0.42) CCR2SCN9ALCKCHRNB2CHRNB4
SCHEMBL8307596 0.83 CCR2 (0.44) CCR2SCN9ALCKCHRNB2CHRNB4

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed