SCHEMBL4648482

SCHEMBL4648482

CCC(=O)Oc1c(Nc2ccccc2C(=O)c2ccccc2)cccc1OCCN(C(=O)C(C)(C)C)c1ccccc1OC

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.36
MAPT P10636 3/20 0.35
LMNA P02545 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
FABP3 P05413 1/20 0.35
FABP4 P15090 1/20 0.35
FABP5 Q01469 1/20 0.35
SLC6A9 P48067 1/20 0.35
ALDH1A1 P00352 2/20 0.35
PPARG P37231 2/20 0.34
HTT P42858 2/20 0.34
RBP4 P02753 2/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
HSP90AA1 P07900 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ABCB1 P08183 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL2785015 0.77 MEN1 (0.47) L3MBTL1ALDH1A1PPARGHTTNPSR1
SCHEMBL4648484 0.74 PPARG (0.63) MAPTLMNAPPARG
SCHEMBL4648480 0.74 PPARG (0.63) MAPTLMNAPPARG
SCHEMBL4646268 0.74 PPARG (0.56) MAPTLMNAPPARG
SCHEMBL4646262 0.74 PPARG (0.56) MAPTLMNAPPARG
SCHEMBL4068968 0.70 PPARG (0.56) PPARG
SCHEMBL4685110 0.67 PPARG (0.64) MAPTLMNAPPARG
SCHEMBL4685115 0.67 PPARG (0.64) MAPTLMNAPPARG
SCHEMBL4648132 0.66 PPARG (0.57) MAPTLMNAPPARG
SCHEMBL4648141 0.66 PPARG (0.57) MAPTLMNAPPARG

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-1778624-B1 TYROSINE DERIVATIVES AS PPAR-GAMMA-MODULATORS SALVAT LAB SA (ES) 2008-08-20 EP disclosed