SCHEMBL5213397

SCHEMBL5213397

CCOC(=O)C(C)(Cc1ccc(O)cc1)Oc1ccccc1.CCOC(=O)C(C)(Cc1ccc(OCc2ccccc2)cc1)Oc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.52
PPARA Q07869 4/20 0.51
LMNA P02545 2/20 0.50
CYP1A2 P05177 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTGS2 P35354 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HIF1A Q16665 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 2/20 0.47
OPRK1 P41145 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
MAOB P27338 1/20 0.47
PPARD Q03181 1/20 0.46
ALOX5 P09917 2/20 0.46
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46

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
SCHEMBL2807182 0.96 PPARG (0.55) PPARGPPARALMNAL3MBTL1ALDH1A1
SCHEMBL14176244 0.94 LMNA (0.54) PPARGPPARALMNAL3MBTL1ALDH1A1
SCHEMBL5207761 0.92 PPARA (0.52) PPARGPPARALMNAL3MBTL1ALDH1A1
SCHEMBL5118505 0.92 OPRK1 (0.51) PPARGPPARACYP1A2ALDH1A1OPRK1
SCHEMBL5116975 0.92 OPRK1 (0.51) PPARGPPARACYP1A2ALDH1A1OPRK1
SCHEMBL14176249 0.92 PPARA (0.56) PPARGPPARALMNACYP1A2PTGS1
SCHEMBL2804981 0.92 OPRK1 (0.51) PPARGPPARACYP1A2ALDH1A1OPRK1
SCHEMBL5113057 0.91 RAB9A (0.52) PPARGPPARALMNAL3MBTL1ALDH1A1
SCHEMBL5208740 0.90 PPARA (0.62) PPARGPPARALMNACYP1A2L3MBTL1
SCHEMBL5209756 0.90 MRGPRX4 (0.53) PPARGPPARALMNAL3MBTL1ALDH1A1

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-1313717-B1 OXAZOLYL-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS LILLY CO ELI (US) 2007-10-17 EP disclosed