SCHEMBL11468606

SCHEMBL11468606

O=C(O[C@@H](C(=O)O)c1ccc(OCc2ccccc2)cc1)C(Cl)Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.50
PPARA Q07869 2/20 0.50
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
PRKCA P17252 2/20 0.49
PRKCD Q05655 2/20 0.49
ALOX5 P09917 1/20 0.48
MAOB P27338 1/20 0.48
PARP10 Q53GL7 1/20 0.48
LMNA P02545 2/20 0.47
CYP1A2 P05177 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTGS2 P35354 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HIF1A Q16665 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
ACACB O00763 1/20 0.47

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
SCHEMBL10584101 0.81 NR4A1 (0.57) PPARGPPARANR4A1NR4A2NR4A3
SCHEMBL11508509 0.81 CYP2D6 (0.43) PPARGPPARALMNACYP1A2L3MBTL1
SCHEMBL5042659 0.80 MAOB (0.56) PPARGPPARANR4A1NR4A2NR4A3
SCHEMBL11482361 0.77 KMT2A (0.54) NR4A2ALOX5MAOBFFAR1SRD5A2
SCHEMBL10560921 0.77 BCHE (0.52) ALOX5LMNAACACBFFAR1
SCHEMBL10560914 0.77 BCHE (0.52) ALOX5LMNAACACBFFAR1
SCHEMBL7761599 0.76 NR4A1 (0.62) PPARGPPARANR4A1NR4A2NR4A3
SCHEMBL10999770 0.76 NR4A1 (0.62) PPARGPPARANR4A1NR4A2NR4A3
SCHEMBL10583095 0.76 NR4A1 (0.54) PPARGPPARANR4A1NR4A2NR4A3
SCHEMBL27733432 0.76 NR4A1 (0.57) PPARGPPARANR4A1NR4A2NR4A3

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-0007716-A1 R-N-(2-phenyl-2-hydroxyethyl)-3-phenylpropyl amines, their formulations, use and preparation ELI LILLY AND COMPANY (US) 1980-02-06 EP disclosed