SCHEMBL7850475

SCHEMBL7850475

CC(C)(C)n1cc(OC(=O)O)c(=O)c2cc(F)c(N3C[C@H]4[C@@H](N)C[C@]4(C)C3)nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.39
EPHA2 P29317 1/20 0.37
FLT4 P35916 1/20 0.37
GSK3B P49841 1/20 0.37
RARB P10826 1/20 0.37
TBXAS1 P24557 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KMT2A Q03164 1/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
XBP1 P17861 1/20 0.36
NFKB1 P19838 1/20 0.36
HTT P42858 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
CHRM2 P08172 1/20 0.35

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
SCHEMBL9286543 0.89 DPP4 (0.46) DPP4EPHA2FLT4GSK3BRARB
SCHEMBL7851632 0.89 DPP4 (0.46) DPP4EPHA2FLT4GSK3BRARB
SCHEMBL9066116 0.89 DPP4 (0.46) DPP4EPHA2FLT4GSK3BRARB
SCHEMBL7850473 0.89 DPP4 (0.46) DPP4EPHA2FLT4GSK3BRARB
SCHEMBL6890151 0.87 DPP4 (0.51) DPP4EPHA2FLT4GSK3BRARB
SCHEMBL7841226 0.87 DPP4 (0.51) DPP4EPHA2FLT4GSK3BRARB
SCHEMBL7849076 0.87 DPP4 (0.51) DPP4EPHA2FLT4GSK3BRARB
SCHEMBL7851217 0.85 EPHA2 (0.45) DPP4EPHA2FLT4GSK3BRARB
SCHEMBL7849173 0.85 EPHA2 (0.56) DPP4EPHA2FLT4GSK3BRARB
SCHEMBL9523191 0.84 EPHA2 (0.39) DPP4EPHA2FLT4GSK3BRARB

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-0677050-B1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVES CHEIL JEDANG CORP (KR) 2001-08-16 EP claimed