SCHEMBL7848299

SCHEMBL7848299

CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CC(N)C4OCCC43)nc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.44
KMT2A Q03164 1/20 0.43
EPHA2 P29317 1/20 0.42
FLT4 P35916 1/20 0.42
GSK3B P49841 1/20 0.42
RARB P10826 1/20 0.42
TBXAS1 P24557 1/20 0.42
SLC6A3 Q01959 1/20 0.42
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
XBP1 P17861 1/20 0.41
NFKB1 P19838 1/20 0.41
HTT P42858 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
CYP2C9 P11712 3/20 0.40

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
SCHEMBL9144124 0.85 DPP4 (0.47) DPP4KMT2AEPHA2FLT4GSK3B
SCHEMBL9144116 0.85 DPP4 (0.47) DPP4KMT2AEPHA2FLT4GSK3B
SCHEMBL8182327 0.82 KMT2A (0.51) DPP4KMT2AEPHA2FLT4GSK3B
SCHEMBL7849661 0.82 KMT2A (0.51) DPP4KMT2AEPHA2FLT4GSK3B
SCHEMBL7848976 0.79 KCNH2 (0.46) KMT2ALMNAKDM4EHSD17B10ALDH1A1
SCHEMBL9686011 0.78 KMT2A (0.67) DPP4KMT2AEPHA2FLT4GSK3B
SCHEMBL9044442 0.78 KMT2A (0.67) DPP4KMT2AEPHA2FLT4GSK3B
SCHEMBL9685896 0.78 KMT2A (0.67) DPP4KMT2AEPHA2FLT4GSK3B
SCHEMBL9685533 0.78 DPP4 (0.54) DPP4KMT2AEPHA2FLT4GSK3B
SCHEMBL9685951 0.78 DPP4 (0.54) DPP4KMT2AEPHA2FLT4GSK3B

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-0911336-B1 PYRIDONECARBOXYLIC ACID DERIVATIVES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF DAINIPPON PHARMACEUTICAL CO (JP) 2001-11-28 EP disclosed
US-6017911-A BACTERICIDES DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2000-01-25 US disclosed
EP-0911336-A1 PYRIDONECARBOXYLIC ACID DERIVATIVES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1999-04-28 EP disclosed