SCHEMBL6533050

SCHEMBL6533050

CCOC(C(=O)OC)C(O)c1ccc(OCc2ccccc2)cc1CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.47
EPOR P19235 2/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PPARA Q07869 2/20 0.44
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
FFAR1 O14842 3/20 0.44
ALDH1A1 P00352 1/20 0.43
MAOB P27338 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
NR4A2 P43354 1/20 0.41
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 1/20 0.41
KMT2A Q03164 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL3371178 1.00 LTA4H (0.47) LTA4HEPORLMNAL3MBTL1PPARA
SCHEMBL3373968 0.89 LMNA (0.47) LTA4HEPORLMNAL3MBTL1PPARA
SCHEMBL6906563 0.89 FFAR1 (0.49) LTA4HEPORLMNAL3MBTL1PPARA
SCHEMBL3373966 0.89 LMNA (0.47) LTA4HEPORLMNAL3MBTL1PPARA
SCHEMBL3372345 0.89 FFAR1 (0.49) LTA4HEPORLMNAL3MBTL1PPARA
SCHEMBL3369977 0.89 LMNA (0.47) LTA4HEPORLMNAL3MBTL1PPARA
SCHEMBL3369824 0.88 FFAR1 (0.50) LTA4HEPORLMNAL3MBTL1PPARA
SCHEMBL5024641 0.88 FFAR1 (0.50) LTA4HEPORLMNAL3MBTL1PPARA
SCHEMBL3370006 0.88 FFAR1 (0.51) LTA4HEPORLMNAL3MBTL1PPARA
SCHEMBL5024649 0.88 FFAR1 (0.50) LTA4HEPORLMNAL3MBTL1PPARA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551814-A1 CHIRALE OXAZOLE-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-07-13 EP disclosed
WO-2004031162-A1 CHIRALE OXAZOLE-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-15 WO disclosed